%chk=000215452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215452

0 1
O -0.878878 0.273347 1.824372
N 2.708821 0.245809 -0.492607
C 0.609711 -0.859495 0.228003
C 1.841736 -0.046314 0.696577
C -0.703621 -0.038837 0.416704
C 0.522628 -2.259322 0.898946
C 3.860712 -0.708558 -0.612020
C 3.340519 1.606121 -0.423642
C 5.102906 -0.050009 0.027978
C 4.765804 1.447722 0.151708
C -0.725859 1.288426 -0.343131
C -1.941791 -0.842096 0.034715
C 1.590651 -3.196937 0.318853
C 0.619290 -2.203993 2.426547
C -1.527980 2.325714 0.159930
C -2.144560 -1.214098 -1.302846
C -0.014380 1.485175 -1.532181
C -2.882033 -1.207237 1.007596
C -1.605975 3.546941 -0.511623
C -3.276468 -1.951491 -1.658975
C -0.095024 2.709031 -2.205047
C -4.013758 -1.943521 0.646182
C -0.888670 3.740977 -1.697395
C -4.212145 -2.318480 -0.685986
H 0.713075 -1.039310 -0.877188
H 2.386931 -0.592182 1.497274
H 1.509154 0.905556 1.167316
H -0.478741 -2.696475 0.641621
H 4.021368 -0.880262 -1.697063
H 3.623622 -1.696599 -0.159600
H 2.728099 2.320626 0.154765
H 3.377761 1.989187 -1.466092
H 6.000306 -0.211854 -0.590007
H 5.321438 -0.488500 1.015102
H 4.809063 1.777118 1.202430
H 5.487586 2.070894 -0.399729
H 1.596209 -4.160226 0.839166
H 2.602030 -2.769138 0.403885
H 1.410593 -3.398316 -0.742469
H 0.474512 -3.194808 2.868517
H 1.590034 -1.830150 2.766506
H -0.160112 -1.543833 2.836665
H -0.099776 0.769582 2.153223
H -2.095159 2.163378 1.079391
H -1.426956 -0.921023 -2.067725
H 0.625190 0.693288 -1.931357
H -2.723601 -0.910408 2.047349
H -2.229948 4.345491 -0.115591
H -3.431238 -2.237618 -2.697477
H 0.463184 2.854101 -3.127764
H -4.741601 -2.223801 1.405190
H -0.951770 4.691225 -2.223170
H -5.093090 -2.891818 -0.966125


%chk=000215452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215452

0 1
O -0.660190 0.595102 1.822213
N 2.823242 0.587503 -0.444050
C 0.689964 -0.696641 0.213395
C 1.960451 0.087335 0.676551
C -0.652654 0.130652 0.399776
C 0.604068 -2.121083 0.878044
C 3.671499 -0.454802 -1.096184
C 3.835396 1.588043 0.011434
C 4.960162 -0.599884 -0.214593
C 5.072566 0.773608 0.527571
C -0.812141 1.394652 -0.487440
C -1.880935 -0.780892 0.149896
C 1.690265 -3.078871 0.330534
C 0.638748 -2.118851 2.428339
C -2.058398 2.082870 -0.408139
C -2.171737 -1.222119 -1.167305
C 0.195259 1.917881 -1.333583
C -2.727920 -1.188036 1.206979
C -2.286483 3.267001 -1.138514
C -3.278902 -2.060014 -1.419196
C -0.041265 3.100909 -2.075111
C -3.843157 -2.021091 0.956177
C -1.274091 3.782825 -1.982074
C -4.122403 -2.463527 -0.356390
H 0.778291 -0.869357 -0.880124
H 2.544257 -0.551663 1.375225
H 1.636315 0.963769 1.262808
H -0.368759 -2.552342 0.576005
H 3.950153 -0.089517 -2.103822
H 3.116206 -1.396388 -1.220602
H 3.404145 2.261739 0.770561
H 4.134225 2.203306 -0.859961
H 5.848436 -0.815044 -0.834319
H 4.854141 -1.430099 0.506963
H 5.024377 0.635280 1.622196
H 6.020337 1.292965 0.300724
H 1.551155 -4.089657 0.757924
H 2.711084 -2.748560 0.603353
H 1.637339 -3.170813 -0.771377
H 0.417481 -3.134331 2.808388
H 1.636831 -1.834781 2.812988
H -0.093403 -1.412085 2.848575
H -1.126361 1.469826 1.851422
H -2.870898 1.664750 0.200101
H -1.538282 -0.893277 -2.000096
H 1.180635 1.428704 -1.380273
H -2.499083 -0.850517 2.222472
H -3.254580 3.775439 -1.064011
H -3.490192 -2.390496 -2.442721
H 0.749970 3.491347 -2.726293
H -4.490849 -2.325986 1.786491
H -1.448384 4.697589 -2.560144
H -4.986131 -3.109372 -0.551078


