%chk=000202272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202272

0 1
O -0.455581 -1.394292 0.362759
N -4.093583 -0.891029 0.638086
C 0.635954 -0.503956 0.590220
C 2.790918 0.941090 0.861254
C 0.950347 -0.301419 2.105292
C 2.230592 0.547096 2.260763
C 0.497937 0.880332 -0.041125
C 1.864777 -1.150081 -0.045247
C 1.673212 1.662719 0.127280
C 3.032289 -0.356294 0.107832
C -0.585501 1.391334 -0.736759
C 1.915201 -2.368416 -0.704150
C -1.696669 -1.134245 1.067220
C 1.734227 2.957399 -0.368890
C 4.245947 -0.794758 -0.402851
C -2.782789 -1.178318 -0.020204
C -5.250932 -1.464699 -0.127279
C -4.377726 0.581315 0.725605
C -5.837635 -0.351005 -1.023117
C -5.279116 0.971833 -0.467290
C -0.521569 2.702412 -1.240938
C 3.146738 -2.807466 -1.221536
C 0.621357 3.477427 -1.053578
C 4.294974 -2.030873 -1.072235
H 3.706302 1.555919 0.956943
H 1.070807 -1.290499 2.581294
H 0.099042 0.187500 2.607834
H 2.019599 1.460385 2.843667
H 2.999220 -0.015762 2.819192
H -1.475411 0.776939 -0.908290
H 1.011312 -2.967992 -0.815564
H -1.798113 -1.962937 1.789943
H -1.673104 -0.172845 1.602557
H 2.627112 3.563847 -0.241440
H 5.147363 -0.197893 -0.294456
H -2.516616 -0.469634 -0.841559
H -2.793666 -2.188741 -0.482222
H -5.995110 -1.792903 0.630249
H -4.965621 -2.361025 -0.705784
H -3.453017 1.184080 0.763966
H -4.909319 0.742219 1.687941
H -6.938965 -0.364771 -1.003058
H -5.543267 -0.492684 -2.075938
H -4.706163 1.513429 -1.237459
H -6.087597 1.648506 -0.147639
H -1.371030 3.108026 -1.786148
H 3.197876 -3.761222 -1.742762
H 0.662029 4.492081 -1.445673
H 5.243065 -2.379728 -1.477707


%chk=000202272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202272

0 1
O -0.575692 -0.932451 0.042855
N -4.242020 -0.795200 0.747101
C 0.665550 -0.273561 0.439393
C 2.998539 0.821806 0.971252
C 0.924638 -0.284779 1.998096
C 2.312602 0.363018 2.313464
C 0.771630 1.189362 -0.020542
C 1.844106 -1.021519 -0.187805
C 2.028174 1.780740 0.287406
C 3.102771 -0.427652 0.098646
C -0.210322 1.924236 -0.710459
C 1.756919 -2.191904 -0.961567
C -1.775232 -0.620456 0.841275
C 2.285088 3.120043 -0.062673
C 4.284821 -1.013201 -0.393465
C -2.979930 -1.117302 0.028608
C -5.383007 -1.699564 0.432528
C -4.781029 0.562356 0.429589
C -6.024030 -1.143479 -0.879970
C -5.761235 0.395576 -0.793618
C 0.051181 3.270346 -1.067301
C 2.947907 -2.774758 -1.462285
C 1.288837 3.869533 -0.736823
C 4.204762 -2.189831 -1.180238
H 3.981254 1.283576 1.167320
H 0.886632 -1.334307 2.340298
H 0.117402 0.271283 2.505630
H 2.192032 1.238792 2.975758
H 2.971577 -0.360880 2.824829
H -1.152631 1.445640 -0.996308
H 0.775732 -2.628692 -1.166354
H -1.746987 -1.142045 1.817119
H -1.855532 0.469618 1.031074
H 3.254583 3.574837 0.173053
H 5.258659 -0.559623 -0.173719
H -2.925309 -0.682140 -0.997079
H -2.899106 -2.213895 -0.081377
H -6.116122 -1.638828 1.260949
H -5.045233 -2.746624 0.355607
H -3.956264 1.267500 0.225312
H -5.335414 0.941426 1.308618
H -7.098172 -1.386798 -0.957978
H -5.516091 -1.574947 -1.761710
H -5.313435 0.776920 -1.727871
H -6.695633 0.958885 -0.622483
H -0.705984 3.847675 -1.610114
H 2.895066 -3.682741 -2.073932
H 1.483907 4.910833 -1.017233
H 5.120137 -2.646421 -1.573880


