%chk=000208420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208420

0 1
O 0.433002 -1.802151 -0.037910
O 0.620728 2.806125 0.058573
N 0.593913 0.485951 0.009526
N -1.447131 1.801549 0.051192
N -2.476936 -1.766590 -0.017959
C 2.102068 0.473184 -0.000883
C 2.680961 -0.225200 -1.249708
C 2.697530 -0.277737 1.209062
C 4.073534 -0.713280 -0.812141
C 4.084020 -0.746068 0.732350
C -0.164908 -0.744178 -0.011536
C -0.012294 1.763766 0.040697
C -1.625285 -0.585831 0.001541
C -2.242161 0.639534 0.031714
C -2.072091 3.149705 0.083975
C -3.721074 0.818476 0.045433
C -2.254342 -2.557309 -1.268292
C -2.238945 -2.608952 1.195274
H 2.444009 1.544756 0.019731
H 2.726288 0.452997 -2.114109
H 2.052313 -1.086931 -1.548881
H 2.072809 -1.151714 1.479524
H 2.754583 0.362906 2.100987
H 4.284628 -1.711917 -1.229688
H 4.862419 -0.042424 -1.191841
H 4.877990 -0.091476 1.129436
H 4.300729 -1.761404 1.104245
H -2.694777 3.315059 -0.810149
H -1.284843 3.934446 0.096921
H -2.685206 3.275728 0.991017
H -4.069952 1.334359 0.951009
H -4.236202 -0.165427 0.026467
H -4.081789 1.374987 -0.830951
H -2.433777 -1.913088 -2.142004
H -2.985510 -3.379124 -1.297974
H -1.241362 -2.986641 -1.356552
H -2.969883 -3.431499 1.199621
H -2.407301 -2.001970 2.097391
H -1.225055 -3.041317 1.252790


%chk=000208420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208420

0 1
O 0.390922 -1.917024 -0.040859
O 0.722797 2.779323 0.057975
N 0.589356 0.429975 0.007592
N -1.397699 1.786028 0.051332
N -2.483615 -1.791927 -0.020061
C 2.087290 0.365026 -0.003918
C 2.709972 -0.324024 -1.245529
C 2.726351 -0.375257 1.199426
C 4.195742 -0.518766 -0.822826
C 4.206611 -0.549053 0.749854
C -0.180867 -0.781028 -0.013055
C 0.022839 1.723481 0.040040
C -1.643581 -0.622160 -0.000334
C -2.213671 0.643551 0.031512
C -1.992763 3.141698 0.085867
C -3.708078 0.840926 0.045729
C -2.416646 -2.581716 -1.275495
C -2.406014 -2.630468 1.202663
H 2.408126 1.420699 0.016152
H 2.602871 0.289478 -2.157634
H 2.220850 -1.297154 -1.412903
H 2.241059 -1.355695 1.331128
H 2.629992 0.198517 2.138180
H 4.613130 -1.445453 -1.254053
H 4.816583 0.318222 -1.191629
H 4.830276 0.275046 1.142143
H 4.632217 -1.490427 1.139257
H -2.621572 3.315515 -0.803949
H -1.163043 3.862850 0.092430
H -2.602990 3.278038 0.995032
H -4.041070 1.381559 0.951251
H -4.170974 -0.157382 0.027234
H -4.053037 1.419534 -0.831407
H -2.562873 -1.911991 -2.141166
H -3.236906 -3.323780 -1.273463
H -1.450639 -3.117134 -1.397314
H -3.224141 -3.374412 1.176782
H -2.548356 -1.995848 2.095054
H -1.437751 -3.167467 1.296862


