%chk=000185115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185115

0 1
O -0.360305 3.009489 0.195617
O 2.073371 4.025210 -0.260169
O -4.317279 0.979427 0.102169
O -4.514076 -1.872839 0.509134
N 2.761228 -2.343149 -0.118189
C 1.682357 -0.113595 -0.096407
C 1.582788 -1.565908 0.053791
C 2.942495 0.504487 -0.345739
C 4.149530 -0.360415 -0.567520
C 4.048040 -1.665970 0.226843
C 0.502937 0.676259 0.016997
C -0.794188 0.029264 0.114682
C -0.846235 -1.379467 0.274315
C 0.359148 -2.153714 0.274180
C 0.673816 2.084486 0.023136
C 3.074156 1.881847 -0.422986
C 1.925773 2.668858 -0.217778
C 2.723833 -3.755175 0.347294
C -2.009234 0.751868 0.004107
C -2.104779 -2.026347 0.419361
C -3.234978 0.122190 0.147064
C -3.273268 -1.289565 0.370107
C -0.685889 3.233760 1.599441
C -5.610143 0.396443 -0.196417
H 4.223495 -0.583278 -1.657917
H 5.086431 0.168930 -0.303008
H 4.887997 -2.341984 -0.046307
H 4.129829 -1.463415 1.318255
H 0.260242 -3.224477 0.425068
H 4.023176 2.370060 -0.628863
H 3.659557 -4.263233 0.062542
H 1.902737 -4.287482 -0.166870
H 2.581025 -3.859733 1.434645
H -1.993007 1.827098 -0.217912
H -2.131101 -3.102055 0.563233
H 1.170677 4.470481 -0.173112
H -1.009940 2.297428 2.065472
H -1.514801 3.946801 1.533237
H 0.175580 3.656416 2.120352
H -4.437086 -2.851243 0.646371
H -5.563080 -0.200378 -1.110700
H -6.234219 1.287332 -0.326599
H -5.944311 -0.210910 0.652981


%chk=000185115-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185115

0 1
O -0.365512 3.074854 0.244016
O 2.018114 4.080179 -0.400002
O -4.448516 0.876931 0.376147
O -4.551249 -1.954309 0.810660
N 2.787424 -2.335748 0.007816
C 1.685492 -0.119181 -0.072043
C 1.608478 -1.574538 0.101199
C 2.941311 0.495885 -0.394831
C 4.151872 -0.389562 -0.637951
C 4.080135 -1.655352 0.227742
C 0.488579 0.686727 0.070069
C -0.812176 0.032641 0.234123
C -0.841089 -1.401246 0.392567
C 0.370821 -2.169404 0.358321
C 0.666053 2.105610 0.013562
C 3.048381 1.885180 -0.530844
C 1.908814 2.689747 -0.311850
C 2.732883 -3.778813 0.256552
C -2.060878 0.724954 0.182793
C -2.099226 -2.052496 0.579080
C -3.289755 0.075349 0.351568
C -3.303097 -1.339145 0.583739
C -0.680175 3.269170 1.685098
C -5.549049 0.489760 -0.531363
H 4.181267 -0.691944 -1.704132
H 5.085021 0.162746 -0.425007
H 4.891045 -2.352931 -0.047793
H 4.213715 -1.386608 1.301004
H 0.294307 -3.246644 0.528615
H 3.998173 2.363858 -0.787646
H 3.723729 -4.218243 0.053608
H 2.003747 -4.260870 -0.420528
H 2.447305 -4.029785 1.302988
H -2.085826 1.796297 -0.023926
H -2.112645 -3.142025 0.721997
H 1.093287 4.443253 -0.295450
H -1.112364 2.347584 2.112858
H -1.423308 4.080586 1.719120
H 0.231939 3.553546 2.242418
H -4.426082 -2.915161 1.011130
H -5.204206 0.504633 -1.583916
H -6.324141 1.257216 -0.382171
H -5.940298 -0.508899 -0.275438


