%chk=000202030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202030

1 1
O 0.835195 -1.351168 -0.024061
N 2.942409 0.720861 0.119663
C 3.090634 -0.375114 -0.952594
C 3.444177 2.001438 -0.570774
C 1.462543 0.868635 0.557030
C 4.260476 0.047874 -1.842699
C 4.476254 1.553018 -1.613958
C 3.836670 0.399949 1.295948
C 0.909167 -0.455922 1.114835
C 1.283914 1.983931 1.573379
C -0.297567 -2.190400 -0.021166
C -1.454703 -1.803386 -0.718164
C -0.172218 -3.429412 0.616223
C -1.556594 -0.482471 -1.423594
C -2.514898 -2.723465 -0.761857
C -1.241711 -4.324316 0.549541
C -2.410128 -3.967680 -0.134737
C -1.825244 0.694147 -0.522340
C -2.429746 0.539941 0.733657
C -1.483161 1.981952 -0.970449
C -2.678182 1.657672 1.535440
C -1.739143 3.095687 -0.166923
C -2.327855 2.936424 1.091825
H 2.138577 -0.459820 -1.533191
H 3.226787 -1.372992 -0.481917
H 3.871617 2.710017 0.168206
H 2.589313 2.520618 -1.059260
H 0.879942 1.114199 -0.382313
H 4.042879 -0.171760 -2.907878
H 5.178791 -0.526790 -1.611721
H 5.510922 1.760304 -1.277645
H 4.356204 2.124514 -2.556425
H 3.820465 1.202446 2.054774
H 3.526215 -0.537781 1.794484
H 4.887327 0.268459 0.972868
H 1.562233 -0.940560 1.861101
H -0.096402 -0.298397 1.558331
H 1.682906 1.746731 2.568160
H 1.713202 2.944017 1.261478
H 0.202301 2.190023 1.718651
H 0.746476 -3.688986 1.137141
H -2.369081 -0.520354 -2.190226
H -0.626080 -0.317888 -2.011212
H -3.433154 -2.464082 -1.292982
H -1.166757 -5.301133 1.030308
H -3.245943 -4.669013 -0.181501
H -2.735764 -0.449301 1.076642
H -1.057991 2.121564 -1.962307
H -3.164536 1.532135 2.504193
H -1.497327 4.094879 -0.530227
H -2.540011 3.807457 1.711242


%chk=000202030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202030

1 1
O 0.548590 -1.339415 0.133879
N 2.794040 0.779110 0.267301
C 2.493118 0.283243 -1.173770
C 3.098907 2.279682 0.024653
C 1.558821 0.614701 1.219148
C 3.516620 1.007745 -2.067951
C 3.852935 2.342836 -1.325032
C 4.037538 0.085567 0.803718
C 1.117417 -0.850792 1.393071
C 1.809354 1.254979 2.598404
C -0.534877 -2.265857 0.232593
C -1.607464 -2.080709 -0.680033
C -0.515528 -3.327875 1.161382
C -1.624772 -0.927163 -1.673366
C -2.663291 -3.023367 -0.636228
C -1.588864 -4.246932 1.186911
C -2.662964 -4.097548 0.282900
C -1.562017 0.476911 -1.066055
C -2.137525 0.770526 0.197271
C -0.967307 1.538314 -1.797783
C -2.104442 2.083394 0.721849
C -0.935698 2.855124 -1.279993
C -1.498542 3.132364 -0.011138
H 1.457299 0.588542 -1.388622
H 2.537336 -0.814126 -1.192903
H 3.674010 2.675962 0.874470
H 2.121010 2.787626 -0.025238
H 0.746367 1.151541 0.695935
H 3.080233 1.191399 -3.062794
H 4.423483 0.400148 -2.223682
H 4.939261 2.453718 -1.175879
H 3.516032 3.222596 -1.896321
H 4.266050 0.465603 1.809550
H 3.869323 -1.000067 0.836936
H 4.881784 0.297945 0.132380
H 1.950529 -1.500851 1.729738
H 0.343656 -0.863637 2.184608
H 2.500138 0.665821 3.226927
H 2.184695 2.288713 2.530026
H 0.844946 1.306136 3.132015
H 0.332256 -3.458220 1.843067
H -2.551860 -1.005427 -2.274553
H -0.788801 -1.035455 -2.392234
H -3.504386 -2.905336 -1.329346
H -1.576975 -5.076351 1.901286
H -3.494740 -4.808510 0.293740
H -2.626441 -0.029923 0.764942
H -0.561432 1.339497 -2.799004
H -2.574145 2.294220 1.689269
H -0.503322 3.666424 -1.877292
H -1.496953 4.153872 0.384248


