%chk=000203138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203138

0 1
O -1.611416 -1.277815 0.477054
O 3.691340 2.460246 -0.553335
O 5.113379 -1.148381 0.871930
O 5.738602 0.697420 -0.269077
N -5.643270 -0.032583 -0.100959
N -0.815728 0.799316 -0.141280
C -4.307628 -0.668202 0.115859
C -6.222547 0.485443 1.182298
C -6.578653 -0.921126 -0.850026
C -3.237128 0.429113 -0.063985
C -7.304567 1.525362 0.888504
C -6.949153 -2.240275 -0.168133
C -1.853672 -0.144050 0.127412
C 0.583210 0.569422 -0.043724
C 1.433763 1.646906 -0.361078
C 1.123172 -0.672414 0.353308
C 3.385681 0.216624 0.110903
C 2.820887 1.452373 -0.275866
C 2.498870 -0.833234 0.427376
C 4.839997 0.021918 0.173959
C 6.511905 -1.546592 1.000319
C 6.985836 -2.187739 -0.288508
H -4.128842 -1.474940 -0.629451
H -4.194436 -1.148361 1.112095
H -5.405513 0.964199 1.766393
H -6.636544 -0.324405 1.822409
H -7.500942 -0.331498 -1.055222
H -6.117060 -1.123930 -1.842788
H -3.358467 0.885194 -1.070767
H -3.422955 1.257480 0.651957
H -6.949878 2.271239 0.164821
H -8.206156 1.069547 0.463763
H -7.597466 2.054868 1.801048
H -6.072697 -2.872855 0.010296
H -7.435512 -2.075466 0.800088
H -7.645057 -2.818671 -0.786243
H -1.089491 1.739973 -0.440347
H 1.038446 2.607968 -0.665012
H 0.459098 -1.507547 0.602063
H 2.921612 -1.797280 0.737839
H 3.234203 3.298303 -0.826502
H 6.450212 -2.256940 1.844367
H 7.108594 -0.658099 1.275199
H 7.982189 -2.628884 -0.175828
H 7.041492 -1.445235 -1.099410
H 6.301194 -2.977792 -0.620918


%chk=000203138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203138

0 1
O -1.660127 -0.758780 1.623758
O 3.560240 1.987867 -1.607293
O 5.201130 -1.113214 0.877319
O 5.727575 0.572887 -0.648415
N -5.629309 0.095704 -0.024336
N -0.846111 0.818129 0.079095
C -4.249744 -0.413661 0.147450
C -6.354044 0.247962 1.263339
C -6.392316 -0.578660 -1.105907
C -3.267791 0.729667 0.532938
C -7.627737 1.106105 1.148789
C -6.775206 -2.063941 -0.858100
C -1.865772 0.188295 0.809289
C 0.550466 0.565793 0.097673
C 1.367409 1.371377 -0.735145
C 1.150656 -0.443435 0.899807
C 3.389927 0.179478 0.018071
C 2.768144 1.188247 -0.780973
C 2.542584 -0.612302 0.841899
C 4.859711 -0.051003 0.007010
C 6.648969 -1.458759 0.943102
C 7.029604 -2.435990 -0.174023
H -3.918029 -0.857074 -0.810422
H -4.168161 -1.213198 0.918340
H -5.663649 0.740761 1.974212
H -6.608944 -0.741338 1.719581
H -7.309567 0.007737 -1.298947
H -5.784229 -0.509600 -2.028652
H -3.284116 1.498549 -0.261610
H -3.630043 1.210953 1.461063
H -7.392027 2.079512 0.683209
H -8.409540 0.613553 0.543191
H -8.053354 1.289437 2.152373
H -5.878689 -2.688465 -0.689808
H -7.438006 -2.174054 0.019350
H -7.311124 -2.469921 -1.736310
H -1.153546 1.566876 -0.545928
H 0.908999 2.153146 -1.358079
H 0.526204 -1.064390 1.542042
H 3.016584 -1.383640 1.453153
H 2.999329 2.641281 -2.098463
H 6.764050 -1.909516 1.942456
H 7.239050 -0.527715 0.874326
H 8.083257 -2.750774 -0.053897
H 6.922924 -1.957794 -1.161966
H 6.393273 -3.337492 -0.141764


