%chk=000253774.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253774

0 1
O -0.035534 1.997326 -0.131306
O 3.229886 -1.152149 -0.372263
O 0.573709 0.640065 -1.838478
O 3.630947 1.057135 -0.065828
O 1.988460 -0.874791 3.070101
N 1.359720 0.872101 1.712177
N -2.408754 -1.517090 2.368735
N -5.346088 -1.366144 1.525048
C 1.385511 0.147284 0.430848
C 0.787638 -1.279270 0.495553
C -0.613430 -1.315926 0.972669
C -1.808852 -1.158097 0.180595
C -2.919615 -1.289287 1.076736
C -1.009184 -1.553196 2.286183
C 0.617836 0.925311 -0.667483
C 2.877894 0.115697 -0.025677
C -2.047015 -0.942224 -1.194280
C -4.260302 -1.177642 0.612886
C -3.352033 -0.863649 -1.636216
C 1.661825 0.292208 2.954061
C -4.454402 -0.970683 -0.748174
C -0.865778 2.814675 -1.027600
C 4.600651 -1.382091 -0.848434
C 1.558620 1.251000 4.108082
C 0.015637 3.707951 -1.870545
C 4.728431 -0.906971 -2.278688
H 0.873501 -1.748880 -0.512175
H 1.439893 -1.900705 1.163177
H -0.384650 -1.736824 3.148010
H 1.074864 1.854764 1.655597
H -2.955717 -1.782446 3.163679
H -1.205640 -0.850905 -1.881568
H -3.561040 -0.713175 -2.694881
H -5.458106 -0.898554 -1.157423
H -1.475363 3.363395 -0.286865
H -1.494055 2.132089 -1.628769
H 4.665550 -2.480633 -0.740169
H 5.298683 -0.874213 -0.160168
H -5.250486 -0.841797 2.386477
H -6.256741 -1.183712 1.116922
H 2.273478 2.081811 4.021560
H 1.792530 0.727377 5.049831
H 0.553989 1.679841 4.214273
H 0.599467 3.121196 -2.597726
H -0.575573 4.436761 -2.437772
H 0.736977 4.265239 -1.258498
H 5.676963 -1.225859 -2.725987
H 4.684294 0.191095 -2.341318
H 3.914206 -1.294708 -2.906707


%chk=000253774-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253774

0 1
O -0.017669 1.963808 -0.215610
O 3.227697 -1.190169 -0.466577
O 0.781450 0.545968 -1.884281
O 3.673801 0.965818 0.295463
O 2.580459 -0.646310 2.920753
N 1.210628 0.800125 1.733940
N -2.521206 -1.563997 2.388640
N -5.451502 -1.274837 1.617873
C 1.360836 0.074029 0.469268
C 0.709640 -1.366916 0.512248
C -0.717317 -1.384851 0.990940
C -1.930331 -1.183489 0.207207
C -3.039496 -1.300520 1.109661
C -1.122798 -1.626648 2.303938
C 0.701037 0.870261 -0.680126
C 2.886419 0.011900 0.116570
C -2.179794 -0.962112 -1.178426
C -4.391585 -1.162664 0.695217
C -3.517863 -0.866772 -1.602449
C 1.850221 0.395526 2.885930
C -4.607128 -0.950032 -0.687959
C -0.760945 2.767532 -1.242906
C 4.653241 -1.333005 -0.906479
C 1.651290 1.294377 4.100619
C 0.161180 3.801803 -1.890583
C 4.840935 -0.752716 -2.310192
H 0.801601 -1.792284 -0.501139
H 1.348097 -1.963278 1.183720
H -0.510838 -1.848938 3.176768
H 0.631260 1.641215 1.711956
H -3.065254 -1.852063 3.198519
H -1.356638 -0.890271 -1.896154
H -3.738733 -0.714804 -2.665364
H -5.634519 -0.843481 -1.058576
H -1.573773 3.230019 -0.661286
H -1.179001 2.063759 -1.982768
H 4.819131 -2.421450 -0.877784
H 5.295952 -0.827887 -0.164771
H -5.317355 -0.995125 2.586930
H -6.405364 -1.232237 1.266687
H 2.571087 1.884521 4.263430
H 1.498050 0.667447 4.994180
H 0.801487 1.990463 3.992886
H 0.963613 3.308159 -2.463049
H -0.423820 4.430249 -2.587608
H 0.616521 4.460225 -1.131094
H 5.872905 -0.948609 -2.656428
H 4.677582 0.337689 -2.309187
H 4.139615 -1.216725 -3.024346


