%chk=000218989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218989

0 1
O -1.350946 -1.996333 1.753261
O 1.256767 -0.511026 -0.138812
N -2.946202 0.085896 0.476867
C -3.321475 -0.040281 -0.987562
C -3.915649 1.038531 1.148511
C -1.513091 0.266566 0.809900
C -4.742095 0.529720 -1.015598
C -5.065624 1.108642 0.142133
C -2.432143 0.756530 -1.953617
C -3.324708 -1.529331 -1.358244
C -4.365174 0.404486 2.470594
C -3.362713 2.454624 1.381041
C -0.825876 -1.114165 0.745178
C 0.671328 -1.039353 1.086416
C 2.629949 -0.385921 -0.193716
C 3.076418 0.123697 -1.428451
C 3.516659 -0.710300 0.835233
C 4.443361 0.311178 -1.633935
C 5.362921 -0.010928 -0.602650
C 4.884986 -0.515266 0.610286
C 4.924050 0.850283 -2.942730
C 6.832432 0.182181 -0.801618
H -0.972091 0.978122 0.148471
H -1.425072 0.667592 1.844865
H -5.342992 0.428096 -1.901376
H -5.989797 1.585141 0.415050
H -2.805733 0.683414 -2.980644
H -2.402655 1.819736 -1.693335
H -1.400738 0.384340 -1.960685
H -3.983979 -2.099081 -0.691678
H -3.665013 -1.686696 -2.385274
H -2.318639 -1.964936 -1.262932
H -4.814637 -0.581675 2.297709
H -3.521355 0.256828 3.153526
H -5.106804 1.026047 2.980645
H -4.149122 3.127955 1.739165
H -2.564575 2.466605 2.130019
H -2.961249 2.885215 0.457393
H -0.983581 -1.602852 -0.249533
H 1.078608 -2.045416 1.293935
H 0.896782 -0.357194 1.920726
H -2.334856 -1.889859 1.790155
H 2.346870 0.358568 -2.198713
H 3.176752 -1.105081 1.785241
H 5.587286 -0.765879 1.405853
H 5.476574 1.791022 -2.806199
H 5.603353 0.141448 -3.438106
H 4.104507 1.055281 -3.643658
H 7.202475 -0.418681 -1.644177
H 7.071170 1.233414 -1.014965
H 7.417538 -0.107504 0.080434


%chk=000218989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218989

0 1
O -1.599739 -1.985243 1.202966
O 1.324695 -0.521021 -0.482611
N -2.964519 0.087713 0.256423
C -3.902868 -0.241175 -0.891728
C -3.583606 1.127092 1.174446
C -1.505281 0.157104 0.014985
C -5.219240 0.314522 -0.359858
C -5.048568 1.043088 0.766223
C -3.528064 0.455927 -2.235423
C -4.002865 -1.774382 -1.118872
C -3.358951 0.733383 2.656613
C -3.064953 2.580507 0.935720
C -0.874335 -1.266361 0.160732
C 0.594618 -1.223199 0.586187
C 2.715471 -0.374409 -0.328552
C 3.376514 0.312804 -1.375239
C 3.454751 -0.859445 0.774641
C 4.770989 0.525394 -1.342415
C 5.532322 0.038235 -0.231816
C 4.852433 -0.644235 0.802203
C 5.451087 1.264513 -2.481911
C 7.035175 0.245118 -0.163507
H -1.230947 0.596969 -0.961744
H -1.063262 0.799933 0.797493
H -6.166502 0.120448 -0.871925
H -5.830686 1.553315 1.336180
H -4.330534 0.290746 -2.977440
H -3.406432 1.545156 -2.101862
H -2.594404 0.044033 -2.661312
H -4.334668 -2.284216 -0.198679
H -4.729717 -1.994039 -1.923408
H -3.029052 -2.200188 -1.416834
H -3.814484 -0.248696 2.870814
H -2.279499 0.668405 2.886186
H -3.806302 1.485151 3.333379
H -3.661975 3.295189 1.531901
H -2.009458 2.693770 1.245153
H -3.154917 2.864104 -0.127279
H -0.944670 -1.806410 -0.808365
H 0.983232 -2.253313 0.708866
H 0.697337 -0.681402 1.549137
H -2.496508 -1.506468 1.197592
H 2.777135 0.676004 -2.217021
H 2.971402 -1.393938 1.597235
H 5.427010 -1.021898 1.656791
H 5.968118 2.175738 -2.123686
H 6.220289 0.635523 -2.970357
H 4.723881 1.569253 -3.253217
H 7.553178 -0.217954 -1.026002
H 7.304016 1.319538 -0.172358
H 7.455553 -0.197286 0.755951


