%chk=000182075.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182075

0 1
O -3.341075 -1.573530 1.130581
N -2.625125 0.255725 -0.086713
N 2.988354 -0.362993 0.282083
N 3.773067 0.426800 -0.298991
C -1.211322 0.088179 0.014981
C -5.007467 -0.136621 0.165319
C -0.626023 -1.001386 0.686688
C -0.397536 1.069625 -0.596354
C -3.612240 -0.593493 0.470788
C 1.576068 -0.135652 0.137577
C 0.759460 -1.110725 0.747173
C 0.986490 0.954166 -0.533844
C -5.843018 0.237502 1.225366
C -5.480340 -0.127529 -1.153196
C -7.155805 0.637814 0.959550
C -6.795397 0.269095 -1.410542
C -7.630837 0.654365 -0.356006
C 5.191052 0.199534 -0.139825
C 6.002121 0.883635 -1.066350
C 5.772744 -0.592871 0.866440
C 7.389933 0.764696 -0.980716
C 7.162927 -0.697370 0.940936
C 7.971210 -0.022310 0.020131
H -2.939878 1.084119 -0.600499
H -1.256522 -1.762076 1.162720
H -0.841572 1.915873 -1.115429
H 1.220549 -1.954446 1.267405
H 1.622442 1.708568 -1.004456
H -5.472379 0.207537 2.251341
H -4.832825 -0.440059 -1.972584
H -7.810044 0.931144 1.780033
H -7.170995 0.274039 -2.433142
H -8.655921 0.963780 -0.560095
H 5.542356 1.497870 -1.841268
H 5.138115 -1.120321 1.580339
H 8.022626 1.288504 -1.695972
H 7.618080 -1.308586 1.719230
H 9.054827 -0.108503 0.082200


%chk=000182075-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182075

0 1
O -3.423297 -1.123636 1.677792
N -2.597625 0.237552 -0.048956
N 3.034265 -0.333538 0.415450
N 3.784038 0.362178 -0.405118
C -1.197345 0.074954 0.096433
C -5.025022 -0.014463 0.228662
C -0.604770 -0.792054 1.056233
C -0.362003 0.831737 -0.781457
C -3.630360 -0.360479 0.685640
C 1.630736 -0.140955 0.245931
C 0.796578 -0.889352 1.117587
C 1.031362 0.729162 -0.712083
C -6.072286 -0.179116 1.171900
C -5.339951 0.423978 -1.085908
C -7.404580 0.116986 0.819771
C -6.675622 0.715413 -1.438981
C -7.709982 0.570365 -0.485620
C 5.193403 0.169065 -0.228767
C 6.019516 0.910132 -1.115029
C 5.784523 -0.687515 0.744402
C 7.423525 0.799525 -1.034848
C 7.185800 -0.791650 0.817836
C 8.010521 -0.051195 -0.068579
H -2.884934 0.911351 -0.762320
H -1.244882 -1.361623 1.730769
H -0.822048 1.502372 -1.519754
H 1.276601 -1.550247 1.846720
H 1.680582 1.303476 -1.379414
H -5.814211 -0.545751 2.170665
H -4.565122 0.498212 -1.859679
H -8.204017 -0.007036 1.558114
H -6.910703 1.042394 -2.457634
H -8.745504 0.797825 -0.761530
H 5.535915 1.560533 -1.851564
H 5.129348 -1.248904 1.417405
H 8.057650 1.372469 -1.720116
H 7.645078 -1.449383 1.564603
H 9.100922 -0.138685 -0.003656


