%chk=000297112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297112

0 1
O -0.765339 -1.965526 0.904745
O -1.168618 1.808967 -1.727458
N 2.564580 -3.251382 0.114927
N -1.315670 -0.054848 -0.316531
C 0.987561 -0.814670 -0.420420
C 0.867649 0.592491 -1.090986
C 1.269476 -1.887696 -1.493395
C 2.060471 -0.885978 0.676108
C -0.417976 -1.072690 0.175601
C 1.440346 -3.286155 -0.878094
C 2.229388 -2.308612 1.233258
C -0.629988 0.917901 -1.127094
C 1.629953 1.688508 -0.387770
C 2.821264 -4.621096 0.652990
C -2.735714 -0.014626 -0.038668
C 2.867814 2.100082 -0.904578
C 1.122857 2.296494 0.771246
C -3.425548 1.209051 -0.108660
C -3.416935 -1.196762 0.301109
C 3.590043 3.112004 -0.265854
C 1.848934 3.309552 1.402585
C 3.083036 3.718720 0.887229
C -4.794894 1.238865 0.161034
C -4.785635 -1.143947 0.571749
C -5.479091 0.068145 0.502611
H 1.220429 0.537309 -2.154942
H 2.205929 -1.617709 -2.027254
H 0.467479 -1.911038 -2.253993
H 3.028392 -0.543215 0.250276
H 1.826176 -0.192265 1.506463
H 1.706371 -4.010330 -1.677937
H 0.478423 -3.627962 -0.432592
H 1.311195 -2.607375 1.790874
H 3.071712 -2.319948 1.957928
H 3.109035 -5.285249 -0.177659
H 1.973699 -5.077973 1.185438
H 3.680924 -4.579270 1.341262
H 3.270798 1.636118 -1.803290
H 0.162277 1.988273 1.182934
H -2.908426 2.129293 -0.388620
H -2.886196 -2.148388 0.371773
H 4.550287 3.429467 -0.670998
H 1.449211 3.783025 2.298943
H 3.645672 4.509080 1.380972
H -5.331329 2.185801 0.102859
H -5.313961 -2.058886 0.838926
H -6.545661 0.100349 0.712955


%chk=000297112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297112

0 1
O -0.655941 -1.661004 1.330029
O -1.089642 1.557670 -2.073046
N 2.500914 -3.415875 0.072969
N -1.233877 -0.037860 -0.308025
C 1.040522 -0.840475 -0.329387
C 0.961485 0.538753 -1.079828
C 1.116767 -1.988199 -1.398397
C 2.240118 -0.993738 0.639389
C -0.329928 -0.926381 0.367994
C 1.280676 -3.381389 -0.766589
C 2.414661 -2.428010 1.179865
C -0.545976 0.776123 -1.262139
C 1.609696 1.726842 -0.362695
C 2.797597 -4.774273 0.568929
C -2.655033 0.021458 -0.066076
C 2.774392 2.318243 -0.910199
C 1.083798 2.249835 0.847937
C -3.324143 1.268914 -0.126788
C -3.375463 -1.161999 0.229002
C 3.406639 3.404651 -0.264856
C 1.712640 3.336265 1.493594
C 2.877843 3.917331 0.941092
C -4.714554 1.325160 0.105072
C -4.764445 -1.090483 0.466447
C -5.440505 0.149541 0.404267
H 1.414940 0.456818 -2.083108
H 2.007872 -1.790546 -2.024936
H 0.226261 -1.966336 -2.056992
H 3.154637 -0.709477 0.084179
H 2.142270 -0.294552 1.488768
H 1.390526 -4.131918 -1.572301
H 0.365629 -3.652990 -0.181011
H 1.576303 -2.668196 1.875686
H 3.357932 -2.476590 1.756383
H 2.908081 -5.466660 -0.285243
H 2.004890 -5.182193 1.245993
H 3.750848 -4.765158 1.127472
H 3.183751 1.931605 -1.851377
H 0.178486 1.817051 1.291483
H -2.769699 2.178164 -0.370672
H -2.856050 -2.121062 0.288276
H 4.305398 3.851508 -0.704205
H 1.292583 3.730975 2.425479
H 3.363593 4.762039 1.441867
H -5.229123 2.290580 0.051493
H -5.317372 -2.007151 0.698397
H -6.519596 0.198890 0.585810


