%chk=000121085.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121085

0 1
 O   -2.166100       1.767700      0.5879000    
 O    1.228000       1.061500     -0.1176000    
 O   0.2156000       1.272700       1.940200    
 N    4.542800     -0.5495000      1.7700000E-02
 C  -0.9329000       2.055300     -5.7500001E-02
 C   -2.110800      -3.100800      0.1802000    
 C    3.370800      8.1299998E-02 -0.5710000    
 C   -2.800000      -1.790500      5.0000002E-04
 C   -2.807200      0.6163000      0.2112000    
 C    2.352500      0.4299000      0.5028000    
 C   -2.162100     -0.6091000      0.3786000    
 C   0.2214000       1.435800      0.7257000    
 C    5.416800      0.4528000      0.6325000    
 C    5.281600      -1.313800     -0.9903000    
 C  -0.9911000       1.486500      -1.474200    
 C  -0.7564000       3.570300     -8.5100003E-02
 C   -4.090400      0.6603000     -0.3341000    
 C   -4.083000      -1.746700     -0.5448000    
 C   -4.728300     -0.5213000     -0.7119000    
 C  -0.8183000      -3.205600     -0.6514000    
 C   -1.806900      -3.408500       1.658700    
 C    6.609100     -0.2006000       1.310600    
 C    5.810800     -0.4067000      -2.088200    
 C   -4.796000       1.962700     -0.5207000    
 H   -2.774200      -3.901700     -0.1740000    
 H    2.869800     -0.5969000      -1.275700    
 H    3.610800      0.9845000      -1.147200    
 H    2.015000     -0.4798000       1.014900    
 H    2.763600       1.124400       1.242100    
 H    5.746200       1.240800     -5.3900000E-02
 H    4.869800      0.9689000       1.429600    
 H    6.092700      -1.902200     -0.5488000    
 H    4.614400      -2.063700      -1.435300    
 H   -1.177800     -0.6650000      0.8279000    
 H   -1.917900       1.755400      -1.994300    
 H  -0.1777000       1.906300      -2.081800    
 H  -0.8590000      0.4020000      -1.543100    
 H   -1.583300       4.050800     -0.6201000    
 H  -0.7605000       3.980300      0.9317000    
 H   0.1860000       3.861700     -0.5609000    
 H   -4.594400      -2.657500     -0.8446000    
 H   -5.727600     -0.5045000      -1.138700    
 H  -5.8100000E-02  -2.490000     -0.3192000    
 H   -1.020600      -3.011200      -1.710600    
 H  -0.3891000      -4.210000     -0.5694000    
 H   -1.082100      -2.705700       2.083700    
 H   -1.392700      -4.417200       1.763000    
 H   -2.719500      -3.355700       2.262700    
 H    6.304400      -1.038500       1.947200    
 H    7.359000     -0.5529000      0.5961000    
 H    7.110000      0.5308000       1.955000    
 H    5.031300      0.1659000      -2.598400    
 H    6.591700      0.2782000      -1.746500    
 H    6.278500      -1.031500      -2.859000    
 H   -4.887700       2.486600      0.4365000    
 H   -4.247000       2.596300      -1.224700    
 H   -5.807600       1.826500     -0.9177000    


%chk=000121085-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121085

0 1
O -2.402112 1.946499 -0.318523
O 1.060729 1.031537 -0.488003
O -0.006924 1.898495 1.389795
N 4.430867 -0.429457 0.266515
C -1.040285 2.238920 -0.843543
C -1.701252 -3.065904 0.014597
C 3.274374 0.025404 -0.540093
C -2.574388 -1.812125 0.128778
C -2.839348 0.626280 -0.061877
C 2.164222 0.528933 0.392259
C -2.038861 -0.531814 -0.169050
C 0.022043 1.704428 0.157120
C 5.361284 0.673646 0.620050
C 5.071113 -1.675028 -0.225509
C -0.890961 1.735751 -2.291695
C -0.973654 3.780499 -0.777703
C -4.203699 0.546241 0.348201
C -3.925678 -1.901926 0.530784
C -4.719277 -0.734718 0.637840
C -1.206544 -3.293987 -1.438813
C -0.504019 -3.024993 1.002053
C 6.331024 0.311717 1.759885
C 5.846908 -1.562814 -1.566995
C -5.043202 1.800732 0.472678
H -2.333862 -3.932935 0.292723
H 2.884282 -0.823169 -1.131192
H 3.536824 0.830125 -1.265929
H 1.771355 -0.283119 1.028331
H 2.497749 1.352500 1.047994
H 5.944455 1.028364 -0.267153
H 4.744356 1.532580 0.945593
H 5.753123 -2.046212 0.561222
H 4.275211 -2.437518 -0.326038
H -0.991706 -0.460552 -0.477068
H -1.682348 2.200896 -2.904827
H 0.093187 2.023455 -2.696871
H -0.985616 0.642291 -2.373139
H -1.778639 4.203005 -1.402294
H -1.111910 4.116338 0.262571
H -0.000865 4.144991 -1.152121
H -4.359201 -2.881639 0.763755
H -5.765365 -0.817010 0.956970
H -0.547642 -2.468067 -1.768146
H -2.055008 -3.350782 -2.144213
H -0.629388 -4.234995 -1.511881
H 0.181057 -2.191180 0.757269
H 0.076746 -3.965186 0.951746
H -0.848620 -2.881600 2.041586
H 5.769212 -0.052136 2.638106
H 7.051216 -0.470888 1.460766
H 6.914257 1.201778 2.059010
H 5.187479 -1.222809 -2.387031
H 6.691056 -0.853762 -1.490341
H 6.260159 -2.548271 -1.851831
H -4.592204 2.510032 1.190662
H -5.110442 2.336912 -0.492112
H -6.064968 1.557650 0.811431


