%chk=000225400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225400

0 1
O 3.823421 2.956629 -0.418624
N 0.067442 -0.106904 0.248627
N 1.882602 -2.205617 0.262107
N -5.277225 -0.017162 -0.290305
N -6.843720 -1.131196 -1.655923
N -7.443443 -0.739339 0.636480
C -2.352973 0.284218 0.571827
C -0.996495 0.926208 0.250201
C -3.461039 1.342912 0.609776
C 1.400720 0.188064 0.082926
C 2.361786 -0.916790 0.095136
C -4.837179 0.716683 0.907910
C 3.750084 -0.634933 -0.064081
C 1.870864 1.495933 -0.090869
C 3.255989 1.714539 -0.243777
C 4.199096 0.692011 -0.233744
C 4.652787 -1.754273 -0.043672
C 4.165288 -3.022433 0.122618
C 2.750527 -3.211018 0.274516
C -6.452061 -0.572005 -0.387576
C 2.957609 4.115544 -0.455346
H -2.611899 -0.481205 -0.192189
H -2.307024 -0.255089 1.538091
H -0.750158 1.711701 1.002305
H -1.031489 1.426612 -0.746275
H -3.506043 1.874622 -0.363733
H -3.238614 2.107947 1.377351
H -0.219762 -1.081790 0.350830
H -4.764183 0.036621 1.787623
H -5.551268 1.525208 1.183906
H 1.184089 2.329559 -0.110302
H 5.252558 0.915126 -0.355123
H 5.718384 -1.563333 -0.163048
H 4.820002 -3.890307 0.142578
H 2.346733 -4.219590 0.407643
H 3.679033 4.929340 -0.604834
H 2.432410 4.226878 0.497334
H 2.265322 4.045333 -1.299085
H -6.109547 -1.051513 -2.362061
H -7.152737 -2.098099 -1.596513
H -8.389520 -0.911453 0.311763
H -7.441568 -0.025338 1.354733


%chk=000225400-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225400

0 1
O 3.911746 3.015954 -0.461212
N 0.082380 -0.021325 0.299373
N 1.778311 -2.130598 0.268184
N -5.142346 -0.232190 -0.257617
N -6.671161 -1.400789 -1.607597
N -7.447652 -0.561394 0.443351
C -2.343049 0.320237 0.632910
C -0.983750 0.978805 0.334225
C -3.495597 1.343065 0.684068
C 1.415176 0.255033 0.102945
C 2.329535 -0.877395 0.089134
C -4.868272 0.665167 0.882872
C 3.743704 -0.650384 -0.108359
C 1.931645 1.557638 -0.081648
C 3.334188 1.746632 -0.273274
C 4.237958 0.672835 -0.288172
C 4.580720 -1.818371 -0.109577
C 4.015997 -3.083432 0.072229
C 2.602132 -3.198474 0.258786
C -6.356450 -0.698996 -0.431798
C 3.032399 4.184943 -0.457663
H -2.586065 -0.428245 -0.144583
H -2.281865 -0.218747 1.601204
H -0.760009 1.744167 1.111047
H -1.041235 1.518807 -0.637722
H -3.526409 1.914270 -0.264669
H -3.325203 2.069255 1.505948
H -0.134899 -1.019165 0.401101
H -4.842112 0.097761 1.844132
H -5.648337 1.457338 0.995811
H 1.250715 2.411535 -0.079076
H 5.303633 0.867327 -0.438437
H 5.661009 -1.701488 -0.254823
H 4.636389 -3.985575 0.074128
H 2.135780 -4.179941 0.402856
H 3.700468 5.044230 -0.618791
H 2.510356 4.298132 0.512651
H 2.287484 4.136242 -1.275894
H -5.907328 -1.463391 -2.279247
H -7.320265 -2.185334 -1.560319
H -8.400732 -0.620251 0.091867
H -7.300192 -0.151584 1.360856


