%chk=000196582.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196582

0 1
O -2.412442 0.346908 1.771478
O -4.658763 1.964870 0.472660
O 2.405214 2.136334 -0.492285
O 3.091630 -1.376476 -0.663533
O -1.050076 4.688491 -0.273695
O 5.165046 -0.949617 0.733963
O 5.983288 1.830678 1.535336
N -0.366944 0.086166 -0.577250
N -0.672240 2.408962 -0.423013
N -2.873639 3.347131 0.086226
C -2.472949 0.944887 0.448226
C -2.945289 -0.479196 0.678284
C -1.129520 1.180552 -0.196810
C -2.044385 -1.558682 0.229167
C -0.774778 -1.272306 -0.317446
C -3.464798 2.097492 0.343333
C 0.934307 0.350269 -1.261101
C -2.442526 -2.896117 0.387943
C 0.087753 -2.335343 -0.644562
C 2.034577 0.773250 -0.262457
C -1.600415 -3.951865 0.039186
C -0.309440 -3.662286 -0.473443
C -1.461586 3.559883 -0.196302
C 3.363809 0.021563 -0.530915
C 4.389333 0.248464 0.605073
C -2.056163 -5.362128 0.218338
C 0.632467 -4.762429 -0.832984
C 5.270262 1.478890 0.350464
H -4.020105 -0.685406 0.769655
H 0.796421 1.161328 -2.022330
H 1.246586 -0.559847 -1.832060
H -3.430741 -3.107112 0.803336
H 1.096805 -2.125058 -1.031404
H 1.696715 0.662113 0.791977
H -3.482328 4.179505 0.104095
H 3.766539 0.312616 -1.530227
H 3.908329 0.318022 1.612467
H -2.038007 -5.914217 -0.733054
H -1.409893 -5.905377 0.924068
H -3.080969 -5.432218 0.607520
H 0.848347 -5.405317 0.033907
H 0.211919 -5.409311 -1.618024
H 1.598480 -4.394184 -1.206947
H 1.610311 2.734425 -0.412446
H 5.983777 1.326338 -0.477061
H 4.643468 2.379737 0.147131
H 3.337321 -1.862213 0.169241
H 5.670547 -1.136315 -0.088687
H 6.509446 1.062147 1.852966


%chk=000196582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196582

0 1
O -2.591143 0.317351 1.747180
O -4.647333 2.045579 0.269375
O 2.197710 2.092981 -0.007070
O 3.317341 -1.341541 -0.773035
O -0.810599 4.645739 -0.242957
O 5.759130 -0.553204 0.045852
O 6.141995 1.881265 1.619688
N -0.336062 -0.006717 -0.436184
N -0.520588 2.323266 -0.285247
N -2.715591 3.330902 -0.022073
C -2.473965 0.943673 0.363185
C -3.047831 -0.435645 0.481222
C -1.076813 1.111646 -0.131071
C -2.182302 -1.573194 0.116607
C -0.818999 -1.347454 -0.234408
C -3.394856 2.132631 0.185007
C 0.988796 0.216800 -1.087458
C -2.661830 -2.897510 0.201229
C 0.039888 -2.460782 -0.405280
C 2.105986 0.642344 -0.095524
C -1.827888 -4.016102 -0.015456
C -0.446103 -3.784664 -0.299255
C -1.295150 3.489355 -0.173162
C 3.472164 0.113546 -0.577620
C 4.617818 0.348347 0.433277
C -2.383560 -5.422859 0.085481
C 0.510106 -4.947502 -0.482444
C 5.127606 1.786939 0.566470
H -4.137581 -0.531856 0.432396
H 0.863106 1.024003 -1.830978
H 1.271704 -0.704426 -1.610411
H -3.714641 -3.056584 0.464280
H 1.109062 -2.316630 -0.590438
H 1.889188 0.185702 0.896388
H -3.266393 4.195887 -0.053103
H 3.723285 0.600627 -1.547042
H 4.330669 -0.040807 1.425879
H -2.247114 -5.982152 -0.859985
H -1.872913 -6.006904 0.874891
H -3.461267 -5.412569 0.318441
H 0.540141 -5.590972 0.417543
H 0.201310 -5.595980 -1.324697
H 1.535410 -4.596534 -0.683131
H 1.248979 2.448805 -0.104357
H 5.532161 2.133629 -0.413803
H 4.301905 2.453434 0.852500
H 4.225137 -1.730696 -0.629291
H 6.189979 -0.177632 -0.768621
H 6.774646 1.124467 1.505210


