%chk=000163016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163016

0 1
 O   -2.745800      -2.452300       1.045800    
 O    4.318700      -1.488300      0.1119000    
 O    6.053400     -0.4405000       1.178700    
 N   -3.734000      -1.205400     -0.7692000    
 C  -0.2853000     -0.2636000      3.8899999E-02
 C  -0.9377000       1.103200     -0.3204000    
 C   -2.434300       1.223600      0.2051000    
 C    1.100200     -0.3333000     -0.6095000    
 C    2.048900      0.7812000     -0.1138000    
 C   -2.838100     -4.3400001E-02   1.033700    
 C   -2.600800      -1.305100      0.1899000    
 C   -1.190100      -1.413900     -0.4172000    
 C    3.319900      0.3952000     -0.9187000    
 C  -1.0000000E-03   2.293000      2.3300000E-02
 C    1.432700       2.129100     -0.5194000    
 C    1.940000      -1.599100     -0.4579000    
 C   -3.379900       1.298200      -1.031300    
 C    3.345700      -1.134800     -0.8736000    
 C   -4.352900     -0.1641000       1.309200    
 C   -3.563800     -7.1300000E-02  -1.708500    
 C   -4.900700     -0.9422000      0.1082000    
 C   -2.662200       2.490100       1.056900    
 C    2.281500      0.7669000       1.419200    
 C    4.676300      0.7891000     -0.3848000    
 C    5.109400     -0.4123000      0.4034000    
 H  -0.1734000     -0.3422000       1.126500    
 H  -0.9862000       1.121600      -1.420000    
 H   0.9457000     -0.2023000      -1.694300    
 H   -2.301300     -6.6399999E-02   1.990300    
 H   -1.222700      -1.446300      -1.511900    
 H  -0.7306000      -2.369100     -0.1304000    
 H    3.203300      0.7399000      -1.954500    
 H   4.3299999E-02   2.438800       1.107300    
 H  -0.4093000       3.216100     -0.4047000    
 H    1.398100       2.213500      -1.613500    
 H    2.057000       2.958800     -0.1667000    
 H    1.920800      -1.991100      0.5647000    
 H    1.580600      -2.391200      -1.123300    
 H   -3.008400       2.027100      -1.762800    
 H   -4.366300       1.673700     -0.7286000    
 H    3.647700      -1.570800      -1.832400    
 H   -4.859400      0.7945000       1.439500    
 H   -4.518300     -0.7443000       2.225700    
 H   -4.437600     -2.4200000E-02  -2.371500    
 H   -2.724000     -0.2666000      -2.383100    
 H   -5.322700      -1.897100      0.4448000    
 H   -5.711700     -0.4092000     -0.4013000    
 H   -2.431500       3.401100      0.4952000    
 H   -3.703300       2.591100       1.378300    
 H   -2.051000       2.472600       1.965100    
 H    2.701500     -0.1767000       1.776900    
 H    2.965900       1.567900       1.718500    
 H    1.361200      0.9243000       1.987900    
 H    4.651900       1.689500      0.2313000    
 H    5.390200      0.9246000      -1.203900    
 H   -2.089700      -2.375700       1.759900    


%chk=000163016-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163016

0 1
O -2.947837 -2.519639 0.981849
O 4.416371 -1.515355 0.111365
O 6.183956 -0.449610 1.177645
N -3.743215 -1.221304 -0.812909
C -0.292438 -0.268928 0.075054
C -0.945053 1.103687 -0.295561
C -2.454276 1.240670 0.227217
C 1.101552 -0.344077 -0.574332
C 2.065784 0.806200 -0.131471
C -2.882093 -0.029702 1.060278
C -2.631000 -1.303322 0.188961
C -1.206095 -1.421245 -0.394202
C 3.339967 0.408372 -0.952606
C -0.009653 2.297716 0.054963
C 1.414509 2.149074 -0.546521
C 1.956612 -1.629342 -0.433460
C -3.400494 1.313506 -1.016674
C 3.361071 -1.163205 -0.894125
C -4.419266 -0.137013 1.303549
C -3.526517 -0.061922 -1.740611
C -4.943149 -0.966886 0.068867
C -2.672738 2.501086 1.102147
C 2.349672 0.794151 1.395753
C 4.730623 0.812418 -0.429985
C 5.227855 -0.388660 0.389284
H -0.181752 -0.333583 1.178321
H -1.002578 1.093124 -1.408003
H 0.937657 -0.193581 -1.668712
H -2.318037 -0.047871 2.014042
H -1.235595 -1.446967 -1.499520
H -0.795667 -2.398107 -0.082081
H 3.190951 0.738764 -1.997417
H 0.067774 2.416990 1.152072
H -0.451764 3.238233 -0.324638
H 1.346247 2.189167 -1.654596
H 2.039539 3.008585 -0.230876
H 2.010123 -1.974006 0.615179
H 1.580056 -2.468438 -1.041642
H -3.029236 2.078286 -1.727855
H -4.405298 1.648609 -0.693874
H 3.681113 -1.626651 -1.843645
H -4.907343 0.849639 1.378651
H -4.620049 -0.680431 2.241911
H -4.373488 -0.041645 -2.449394
H -2.623176 -0.263781 -2.343193
H -5.342357 -1.937709 0.396057
H -5.718161 -0.435552 -0.509899
H -2.494842 3.432207 0.534489
H -3.713655 2.539873 1.470188
H -2.012370 2.509553 1.988721
H 2.819060 -0.146072 1.732168
H 3.027564 1.622545 1.672416
H 1.426193 0.928604 1.982598
H 4.750930 1.719305 0.195186
H 5.446891 0.974270 -1.257559
H -2.352981 -2.518126 1.775333


