%chk=000195971.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195971

0 1
O -6.299370 -2.678839 -0.708123
O -3.319328 -0.562556 2.273027
O -7.264175 -2.421450 1.296511
O -2.800346 4.926306 -0.545740
O 7.888989 -1.098892 -0.539399
N -4.140675 -1.278883 0.274916
N 2.070735 -2.735446 -0.550892
N 5.019422 -1.013248 -0.781933
N 3.738242 1.288535 0.270157
N 5.851313 2.142749 0.951519
N 7.903175 0.918629 0.537863
N 7.990116 3.084854 1.492534
C -5.504647 -0.828887 0.591316
C -6.012319 0.271936 -0.361052
C -5.134509 1.492030 -0.412999
C -3.088547 -1.049707 1.178536
C -1.749291 -1.475984 0.694126
C -6.452482 -2.031311 0.497833
C -5.004956 2.180244 -1.628097
C -4.472647 1.975488 0.732131
C 0.818850 -2.248931 -0.126065
C 2.896045 -1.972560 -1.509937
C -1.217748 -0.984609 -0.505599
C -0.988400 -2.348800 1.492065
C 0.057325 -1.359290 -0.918616
C 0.282085 -2.739796 1.091410
C -4.230897 3.340624 -1.716677
C -3.693409 3.125487 0.670012
C 3.680276 -0.859887 -0.845924
C -3.586240 3.797055 -0.560386
C 5.747607 -0.031539 -0.199077
C 5.105322 1.126283 0.332195
C 3.037756 0.299268 -0.312109
C 7.253499 -0.172384 -0.119580
C 7.273958 1.984512 0.991010
H -5.529306 -0.458578 1.664749
H -7.032911 0.583362 -0.040805
H -6.138314 -0.154397 -1.380933
H -3.988864 -1.660031 -0.655733
H -5.513278 1.815624 -2.520666
H -4.551961 1.438183 1.683887
H 2.264143 -1.557855 -2.330661
H 3.600041 -2.697955 -1.999022
H -1.800267 -0.291775 -1.117273
H -1.402244 -2.712133 2.437027
H 2.624239 -3.235520 0.148835
H 0.450449 -0.988177 -1.861937
H 0.858445 -3.422695 1.711339
H -4.138840 3.870435 -2.658398
H -3.171014 3.510136 1.544437
H 1.943694 0.422711 -0.352300
H -6.884204 -3.479664 -0.791215
H 5.373870 2.995313 1.252986
H -2.774848 5.372058 -1.426339
H 7.597915 3.599833 2.269555
H 8.998326 2.939726 1.574411


%chk=000195971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195971

0 1
O -4.945955 -2.515087 -2.454378
O -4.151197 -1.339744 1.775009
O -7.112468 -1.958015 -1.826303
O -3.646680 5.204378 1.649235
O 6.914933 -0.929470 -2.489571
N -3.810513 -1.081603 -0.510726
N 2.143232 -2.857021 1.583772
N 4.835960 -1.335071 -0.524490
N 4.135393 0.917782 1.074009
N 5.776034 2.187162 -0.044365
N 7.164549 1.295923 -1.806210
N 7.406416 3.513852 -1.127719
C -5.215872 -0.777665 -0.766570
C -5.460488 0.637358 -1.385730
C -4.923746 1.808607 -0.570718
C -3.358366 -1.372470 0.774397
C -1.913279 -1.728742 0.919184
C -5.882343 -1.799366 -1.690360
C -4.536030 2.992309 -1.246358
C -4.856974 1.796410 0.848072
C 0.820115 -2.473031 1.348290
C 3.212378 -2.788033 0.593413
C -0.927013 -1.490511 -0.072711
C -1.501652 -2.326165 2.141999
C 0.418982 -1.848199 0.129998
C -0.168490 -2.697271 2.355214
C -4.109329 4.138787 -0.541478
C -4.430309 2.931125 1.566239
C 3.864284 -1.414853 0.430211
C -4.060882 4.104831 0.872123
C 5.474324 -0.143788 -0.692693
C 5.111629 0.971900 0.125011
C 3.512862 -0.284735 1.219728
C 6.562834 0.013235 -1.734515
C 6.784598 2.290876 -1.012016
H -5.728903 -0.845488 0.210512
H -6.557009 0.737825 -1.515693
H -5.020552 0.664423 -2.402476
H -3.214480 -1.273608 -1.316035
H -4.571620 3.025318 -2.342573
H -5.114443 0.892274 1.410648
H 2.854139 -3.119544 -0.401421
H 4.007825 -3.502463 0.874073
H -1.185064 -0.981922 -1.009671
H -2.261850 -2.488106 2.913096
H 2.344299 -3.318981 2.469557
H 1.153956 -1.629626 -0.650689
H 0.123102 -3.168645 3.302376
H -3.817045 5.044901 -1.088770
H -4.372547 2.919791 2.658504
H 2.722253 -0.345686 1.971496
H -5.425187 -3.145908 -3.056867
H 5.485283 2.962689 0.557982
H -3.424448 5.976128 1.071520
H 7.178279 4.321650 -0.554236
H 8.136877 3.580888 -1.833427


