%chk=000201235.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201235

0 1
O 5.285580 -0.729900 -0.375294
N -1.929978 2.356130 0.009527
N -0.087390 -0.834139 0.892922
N -4.836957 -1.642484 -0.862864
C -1.841500 1.046172 0.745212
C -0.465637 0.475106 0.559081
C 0.638106 1.184658 0.090284
C 0.533997 2.595644 -0.354777
C -0.742428 3.241534 0.227105
C 1.764644 0.295174 0.107481
C 1.286989 -0.968361 0.603178
C -2.899656 0.115792 0.173920
C 3.122584 0.439096 -0.242851
C 2.138951 -2.084116 0.750335
C 3.934279 -0.672013 -0.087921
C -3.733050 -0.610202 1.035770
C -3.043421 -0.046425 -1.209642
C 3.463122 -1.931501 0.403087
C -4.686974 -1.476036 0.476393
C -4.022468 -0.931022 -1.686870
C 5.911665 0.465474 -0.896146
H -2.012361 1.181567 1.851464
H 1.424887 3.179030 -0.052203
H 0.498011 2.625888 -1.466063
H -0.576959 3.484569 1.299087
H -0.950057 4.197737 -0.301433
H -2.783958 2.843435 0.303657
H -0.701160 -1.570844 1.177973
H 3.482958 1.388931 -0.615598
H 1.756281 -3.029718 1.124854
H -3.657510 -0.507270 2.114290
H -2.405138 0.517503 -1.893588
H 4.177597 -2.748079 0.488593
H -5.361313 -2.061885 1.111628
H -4.171762 -1.087541 -2.761863
H 5.851065 1.275813 -0.164171
H 5.459943 0.745585 -1.852118
H 6.949317 0.135298 -1.033039


%chk=000201235-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201235

0 1
O 5.356533 -0.759403 -0.376811
N -1.879549 2.366163 -0.029215
N -0.095917 -0.806650 0.870433
N -4.885484 -1.702480 -0.831378
C -1.851129 1.076958 0.705943
C -0.457291 0.506687 0.543084
C 0.658878 1.203133 0.082211
C 0.574511 2.648796 -0.340121
C -0.725517 3.262785 0.235714
C 1.774934 0.279508 0.110547
C 1.272754 -0.974951 0.606900
C -2.925081 0.125462 0.170772
C 3.150406 0.401530 -0.232760
C 2.108046 -2.103403 0.758465
C 3.977153 -0.729878 -0.076093
C -3.728624 -0.640228 1.048525
C -3.125662 -0.038973 -1.222010
C 3.463298 -1.970350 0.412990
C -4.684816 -1.533717 0.508310
C -4.104360 -0.951177 -1.670349
C 5.952166 0.471823 -0.889289
H -2.046665 1.212743 1.803286
H 1.445892 3.227559 0.025326
H 0.564139 2.734328 -1.445052
H -0.578717 3.447636 1.328370
H -0.935237 4.235203 -0.244859
H -2.785956 2.837520 0.076530
H -0.743250 -1.539878 1.153076
H 3.540015 1.351500 -0.610125
H 1.724880 -3.058911 1.132839
H -3.628814 -0.535753 2.135775
H -2.527870 0.547501 -1.925891
H 4.157938 -2.809965 0.509183
H -5.322342 -2.136921 1.165136
H -4.284236 -1.099406 -2.741227
H 5.869685 1.298560 -0.155387
H 5.482768 0.781884 -1.844373
H 7.012818 0.233364 -1.059077


