%chk=000201685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201685

0 1
O 5.942526 -2.739534 0.046960
O -3.670987 -1.597054 0.707805
O -5.640157 -3.685224 0.476883
N -7.630627 -0.752114 -0.443891
C 3.036154 2.518737 -0.418807
C 4.065997 1.696454 0.367527
C 1.642211 1.966651 -0.261226
C 1.435599 0.640192 -0.095216
C 3.882884 0.220187 0.148932
C 2.577169 -0.293573 -0.068548
C 0.081333 0.067168 0.072374
C 0.554996 2.966827 -0.316934
C 4.980047 -0.636047 0.184539
C 2.409620 -1.669087 -0.272224
C 4.772159 -2.015692 -0.014006
C 3.498536 -2.545824 -0.246832
C -0.261008 -0.574429 1.279436
C -0.864720 0.160575 -0.956825
C -0.281383 3.167856 0.793056
C 0.365008 3.733979 -1.477956
C -1.527493 -1.116983 1.457039
C -2.144849 -0.382176 -0.804450
C -2.459751 -1.013572 0.403527
C -1.294345 4.128332 0.740359
C -0.651911 4.690833 -1.524834
C -1.481482 4.891378 -0.416869
C -4.726244 -1.557000 -0.299357
C -5.887068 -2.267953 0.411077
C -7.199220 -2.175624 -0.393176
C 5.863199 -4.172236 -0.146343
H 3.298354 2.522593 -1.498726
H 3.076699 3.576975 -0.091372
H 3.965366 1.905262 1.455746
H 5.089800 2.018729 0.093341
H 5.989092 -0.270933 0.356539
H 1.411040 -2.072031 -0.457387
H 3.341710 -3.605760 -0.406956
H 0.478547 -0.643398 2.078567
H -0.602582 0.666946 -1.887078
H -0.141498 2.566129 1.690106
H 1.007006 3.578486 -2.342318
H -1.814031 -1.610767 2.381664
H -2.865671 -0.297392 -1.610375
H -1.941751 4.280017 1.602412
H -0.798612 5.281414 -2.427271
H -2.271847 5.637550 -0.455596
H -4.972544 -0.505098 -0.535575
H -4.385297 -2.095483 -1.198190
H -5.997293 -1.889149 1.452837
H -7.940585 -2.869755 0.062622
H -7.029260 -2.549559 -1.427871
H 5.484189 -4.400093 -1.146661
H 5.249908 -4.627782 0.636298
H 6.914751 -4.470913 -0.046342
H -4.748893 -3.847817 0.859260
H -8.001840 -0.456555 0.454860
H -8.372752 -0.632659 -1.127256


%chk=000201685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201685

0 1
O 6.073727 -2.761343 0.018237
O -3.742961 -1.691697 0.824718
O -5.718299 -3.709372 0.669218
N -7.736459 -0.868230 -0.652706
C 3.041428 2.463431 -0.699263
C 4.092917 1.755734 0.179431
C 1.627308 1.979862 -0.354397
C 1.442775 0.633110 -0.079286
C 3.942655 0.249387 0.064616
C 2.616444 -0.284604 -0.058981
C 0.084917 0.030452 0.128839
C 0.552987 3.012886 -0.342246
C 5.053410 -0.607584 0.089820
C 2.474717 -1.692303 -0.167782
C 4.886528 -2.012285 -0.014521
C 3.588271 -2.559835 -0.148226
C -0.221604 -0.702617 1.310246
C -0.931092 0.157117 -0.851172
C -0.456115 3.051891 0.663548
C 0.551794 4.048498 -1.322116
C -1.496757 -1.258930 1.516685
C -2.214834 -0.400802 -0.666311
C -2.500430 -1.106483 0.527873
C -1.431795 4.069712 0.676074
C -0.431338 5.061241 -1.317167
C -1.431126 5.078166 -0.317090
C -4.829229 -1.566268 -0.171747
C -6.026246 -2.289927 0.446451
C -7.262373 -2.255807 -0.469926
C 5.956323 -4.215733 -0.105672
H 3.262040 2.254843 -1.768799
H 3.112450 3.556379 -0.559879
H 3.940247 2.062946 1.235942
H 5.113607 2.070166 -0.104900
H 6.069048 -0.208849 0.185024
H 1.474315 -2.121667 -0.281201
H 3.432388 -3.638579 -0.241578
H 0.548411 -0.824713 2.080444
H -0.714581 0.707550 -1.772800
H -0.461975 2.285581 1.444570
H 1.318137 4.049126 -2.106097
H -1.735716 -1.808295 2.432769
H -2.972485 -0.276830 -1.445230
H -2.191265 4.079873 1.466343
H -0.415740 5.837164 -2.091318
H -2.191504 5.867162 -0.306410
H -5.076139 -0.504881 -0.358103
H -4.523242 -2.060915 -1.116077
H -6.264051 -1.797187 1.415996
H -8.013654 -2.950674 -0.033255
H -6.980694 -2.668162 -1.456452
H 5.497470 -4.501467 -1.072315
H 5.363809 -4.644550 0.725987
H 6.988480 -4.592918 -0.058806
H -4.847838 -3.749366 1.143957
H -8.201609 -0.471439 0.169524
H -8.277257 -0.713954 -1.507183


