%chk=000042278.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042278

1 1
 O   0.8195000      -1.044800     -0.2913000    
 O   -2.378400     -0.9375000       1.869100    
 O   0.2480000      -2.584800       1.329600    
 N    4.444200     -0.1598000     -0.2263000    
 C    2.994800     -0.1106000     -0.6876000    
 C    4.491500     -0.2049000       1.294200    
 C    5.114800      -1.403500     -0.7918000    
 C    5.175800       1.080100     -0.7200000    
 C    2.168000      -1.058900      0.1581000    
 C    3.823700       1.033500       1.850500    
 C    6.555000      -1.446700     -0.3301000    
 C    5.125500       1.119400      -2.231800    
 C   -2.256700     -0.5775000      0.4795000    
 C   -1.447100      -1.728200     -0.1750000    
 C  -4.4399999E-02  -1.860400      0.3869000    
 C   -3.694300     -0.4359000     -4.6000000E-02
 C   -1.496800      0.7492000      0.3352000    
 C   -4.559400      0.4937000      0.5312000    
 C   -1.322700       1.319500     -0.9259000    
 C   -4.133600      -1.236600      -1.100300    
 C  -0.9812000       1.384200       1.465100    
 C   -5.863900      0.6224000      5.4400001E-02
 C  -0.6327000       2.524600      -1.057100    
 C   -5.438200      -1.107600      -1.577200    
 C  -0.2913000       2.589500       1.333700    
 C   -6.303200     -0.1781000     -0.9998000    
 C  -0.1171000       3.159600      7.2700001E-02
 H    2.614400      0.9157000     -0.6288000    
 H    2.941600     -0.4179000      -1.738700    
 H    5.537500     -0.1566000       1.611900    
 H    4.088400      -1.150300       1.669700    
 H    5.019200      -1.425000      -1.880600    
 H    4.591700      -2.282300     -0.4014000    
 H    6.190700       1.119300     -0.3169000    
 H    4.642800       1.964100     -0.3556000    
 H    2.533700      -2.087700      7.8599997E-02
 H    2.119500     -0.7798000       1.212000    
 H    4.448100       1.925600       1.735300    
 H    2.827700       1.263500       1.469800    
 H    3.710300      0.9035000       2.934000    
 H    7.015200      -2.345200     -0.7616000    
 H    6.677300      -1.562300      0.7490000    
 H    7.169700     -0.6171000     -0.6846000    
 H    5.571900       2.065200      -2.563800    
 H    4.116400       1.109000      -2.649800    
 H    5.722400      0.3370000      -2.706800    
 H   -1.352200      -1.612700      -1.262400    
 H   -1.934300      -2.697400     -1.8000000E-03
 H   -1.505900      -1.185200       2.217100    
 H   -4.237000       1.123000       1.356400    
 H   -1.713500      0.8387000      -1.818400    
 H   -3.502800      -1.973200      -1.584800    
 H   -1.095600      0.9768000       2.464500    
 H   -6.537800       1.345300      0.5046000    
 H  -0.4955000       2.967700      -2.039100    
 H   -5.781000      -1.730600      -2.398200    
 H   0.1115000       3.083900       2.212900    
 H   -7.318900     -7.8000002E-02  -1.371000    
 H   0.4213000       4.097200     -2.9600000E-02


%chk=000042278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042278

1 1
O 0.795760 -2.102935 -0.318083
O -2.050902 0.198387 1.986014
O 0.448917 -1.175289 1.783605
N 4.235889 -0.413425 0.057595
C 2.752041 -0.668020 -0.267350
C 4.571638 -0.784740 1.533700
C 5.108985 -1.276945 -0.893494
C 4.523298 1.103592 -0.136665
C 2.249518 -2.105326 -0.009732
C 3.643314 -0.182509 2.595946
C 6.621587 -1.043739 -0.805629
C 4.318194 1.644728 -1.556519
C -2.039575 -0.033092 0.534037
C -1.476158 -1.492190 0.276945
C -0.031505 -1.577300 0.689972
C -3.513077 -0.009832 0.078891
C -1.176054 1.039692 -0.166255
C -4.516797 -0.440437 0.982842
C -0.557621 0.822340 -1.425805
C -3.881898 0.370848 -1.234610
C -1.034030 2.309168 0.450400
C -5.868019 -0.488600 0.576906
C 0.188999 1.849156 -2.050802
C -5.234559 0.316615 -1.640336
C -0.284058 3.332948 -0.169166
C -6.232032 -0.115643 -0.737743
C 0.331309 3.108782 -1.423954
H 2.162177 0.038090 0.336929
H 2.607200 -0.414923 -1.328770
H 5.610020 -0.449911 1.691164
H 4.562023 -1.887155 1.584178
H 4.741322 -1.074736 -1.913191
H 4.872523 -2.326243 -0.648928
H 5.562150 1.257390 0.198945
H 3.856466 1.624908 0.568929
H 2.666005 -2.847413 -0.706385
H 2.396556 -2.422600 1.036528
H 3.674785 0.919740 2.621287
H 2.595556 -0.513132 2.500881
H 4.005455 -0.529872 3.580354
H 7.105696 -1.727585 -1.525251
H 7.039767 -1.279358 0.186592
H 6.919526 -0.020500 -1.087862
H 4.606921 2.710906 -1.545700
H 3.265813 1.606836 -1.882233
H 4.955191 1.149319 -2.308393
H -1.598828 -1.801476 -0.771367
H -2.077579 -2.170297 0.909081
H -1.148960 -0.029064 2.345949
H -4.234145 -0.701041 2.006697
H -0.668811 -0.137994 -1.942210
H -3.127522 0.734448 -1.939897
H -1.528569 2.480375 1.411439
H -6.636722 -0.812010 1.287142
H 0.622148 1.677025 -3.043835
H -5.508897 0.620498 -2.656381
H -0.198926 4.311787 0.315538
H -7.280767 -0.152614 -1.051574
H 0.885861 3.914468 -1.918469


