%chk=000177070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177070

0 1
 O   0.1195000     -0.9404000     -0.4477000    
 O  -0.9426000      -2.220900       1.135700    
 N   -2.051300      -1.464000     -0.7564000    
 C    4.788000      0.6043000     -0.3738000    
 C    3.721000     -0.2207000      0.3489000    
 C    6.140700      0.6129000      0.3440000    
 C   -4.539500      0.1999000     -0.4227000    
 C    2.401100     -0.2141000     -0.4210000    
 C   -4.251400      -1.112900      0.3136000    
 C   -5.497400       1.084200      0.3796000    
 C    7.227000       1.375900     -0.4151000    
 C   -3.346100      -2.044900     -0.4859000    
 C   -5.843700       2.397900     -0.3244000    
 C    1.320200     -0.9975000      0.3102000    
 C    8.566000       1.293900      0.3024000    
 C   -6.850000       3.248000      0.4356000    
 C  -0.9613000      -1.601700      7.7000000E-02
 H    4.436200       1.637400     -0.4862000    
 H    4.924500      0.2047000      -1.386600    
 H    3.565500      0.1873000       1.355000    
 H    4.072300      -1.252600      0.4685000    
 H    6.468500     -0.4235000      0.4941000    
 H    6.016200       1.052200       1.341500    
 H   -4.978300     -1.8100001E-02  -1.403800    
 H   -3.607200      0.7490000     -0.5985000    
 H    2.057700      0.8165000     -0.5765000    
 H    2.543200     -0.6372000      -1.423300    
 H   -5.195200      -1.631800      0.5197000    
 H   -3.787500     -0.8905000       1.282500    
 H   -5.054000       1.307300       1.358000    
 H   -6.423800      0.5285000      0.5715000    
 H    6.935000       2.426600     -0.5234000    
 H    7.335000      0.9625000      -1.424500    
 H   -3.205500      -2.981400      6.4900003E-02
 H   -3.801900      -2.286900      -1.451800    
 H   -4.927300       2.980500     -0.4759000    
 H   -6.249600       2.180200      -1.319700    
 H    1.629200      -2.042900      0.4269000    
 H    1.146300     -0.5616000       1.301000    
 H    8.499300       1.723600       1.307000    
 H    9.328400       1.847700     -0.2544000    
 H    8.899700      0.2553000      0.3937000    
 H   -1.936900     -0.9203000      -1.606400    
 H   -7.794100       2.710300      0.5682000    
 H   -6.465400       3.516000       1.424700    
 H   -7.057900       4.172600     -0.1120000    


%chk=000177070-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177070

0 1
O 0.134904 -0.878847 -0.454628
O -0.926532 -2.308106 1.099686
N -2.051312 -1.423887 -0.768248
C 4.911005 0.595314 -0.382269
C 3.820045 -0.233418 0.332839
C 6.284324 0.534379 0.323316
C -4.706979 0.193627 -0.433684
C 2.452904 -0.169940 -0.387546
C -4.303785 -1.086656 0.330702
C -5.665981 1.100391 0.370324
C 7.376807 1.358752 -0.395591
C -3.361111 -2.022096 -0.463178
C -6.077604 2.382665 -0.388877
C 1.391918 -1.005085 0.330248
C 8.746589 1.292270 0.313729
C -7.032474 3.283136 0.424371
C -0.963436 -1.604538 0.055717
H 4.581007 1.652908 -0.452294
H 5.019281 0.233849 -1.426267
H 3.709113 0.130276 1.375639
H 4.153453 -1.289688 0.405187
H 6.614041 -0.523308 0.396092
H 6.179163 0.898819 1.366752
H -5.189151 -0.086556 -1.394872
H -3.796469 0.773038 -0.692644
H 2.108404 0.880619 -0.449442
H 2.558864 -0.535874 -1.427253
H -5.216262 -1.661511 0.591480
H -3.813510 -0.818154 1.286812
H -5.184345 1.382142 1.329870
H -6.577662 0.526122 0.638072
H 7.046815 2.415361 -0.467763
H 7.480650 0.994224 -1.438132
H -3.169766 -2.938621 0.121753
H -3.838107 -2.317847 -1.417765
H -5.166082 2.954989 -0.657430
H -6.560241 2.099751 -1.346918
H 1.673221 -2.073517 0.385209
H 1.207127 -0.646280 1.360314
H 8.676552 1.679117 1.348022
H 9.509344 1.889321 -0.219293
H 9.112820 0.249689 0.371116
H -1.936887 -0.806298 -1.571739
H -7.962771 2.742665 0.682679
H -6.560526 3.607693 1.370988
H -7.314757 4.190407 -0.140882


