%chk=000203481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203481

0 1
O -2.597880 2.312291 0.521135
O -5.757722 -1.091226 0.675287
N -0.559661 0.622557 -0.630432
N 2.359464 0.958598 -0.781034
N 4.770283 1.745104 0.507252
N 5.004025 -1.936329 0.931414
C 0.232601 0.929293 0.610043
C 0.231083 -0.223370 -1.577603
C 1.512236 1.688839 0.214677
C 1.538383 0.512980 -1.944129
C -1.863587 0.086936 -0.296492
C 3.194208 -0.057987 -0.172609
C -2.852435 0.989448 0.194556
C -2.228503 -1.255625 -0.458878
C 4.436125 0.371918 0.386794
C 2.899202 -1.425129 -0.153152
C -4.139350 0.559113 0.510345
C -3.517769 -1.711506 -0.161980
C -4.458013 -0.799839 0.329237
C 5.298458 -0.614831 0.925304
C 3.822854 -2.329090 0.397504
C -2.186374 3.172684 -0.575116
C -6.202711 -2.462270 0.536130
H 0.484762 0.017676 1.191666
H -0.398185 1.573279 1.267850
H -0.377853 -0.375987 -2.495369
H 0.473331 -1.232756 -1.167176
H 1.246967 2.665253 -0.250869
H 2.113136 1.913344 1.123450
H 2.156842 -0.124018 -2.610938
H 1.293155 1.438544 -2.517126
H -1.497313 -1.980842 -0.817453
H 1.954219 -1.793996 -0.556139
H -4.880917 1.257779 0.894189
H -3.762825 -2.757225 -0.307924
H 6.259051 -0.335975 1.371900
H 3.616110 -3.403796 0.419217
H 5.764593 1.933094 0.544487
H 4.315315 2.345737 -0.176384
H -2.986344 3.217496 -1.318258
H -1.248416 2.822569 -1.020127
H -2.057431 4.134096 -0.066217
H -7.243635 -2.394412 0.879364
H -5.618516 -3.119676 1.186244
H -6.155060 -2.773342 -0.511142


%chk=000203481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203481

0 1
O -2.383087 2.274407 0.694332
O -5.980519 -0.887452 0.712796
N -0.557423 0.368297 -0.525362
N 2.337029 0.707106 -0.783807
N 4.543492 1.920887 0.507568
N 5.501506 -1.661640 0.914128
C 0.264671 0.829924 0.632691
C 0.207620 -0.522524 -1.423243
C 1.527030 1.562287 0.134638
C 1.503812 0.188413 -1.889874
C -1.914813 0.011372 -0.243984
C 3.360542 -0.112492 -0.221414
C -2.810202 0.960873 0.356751
C -2.453087 -1.262776 -0.557665
C 4.468637 0.524465 0.441346
C 3.409527 -1.524888 -0.340431
C -4.133816 0.620802 0.671189
C -3.795790 -1.607241 -0.275975
C -4.636438 -0.666182 0.361188
C 5.478089 -0.301750 1.004278
C 4.482353 -2.250944 0.223931
C -2.153123 3.148410 -0.476819
C -6.540662 -2.204695 0.410358
H 0.564446 -0.039424 1.263694
H -0.344743 1.513255 1.245881
H -0.408295 -0.753577 -2.311723
H 0.460637 -1.488610 -0.923461
H 1.215860 2.472361 -0.417100
H 2.146030 1.865723 0.994773
H 2.106743 -0.491505 -2.515834
H 1.205881 1.053925 -2.514833
H -1.810359 -2.022645 -1.012185
H 2.608720 -2.069002 -0.849872
H -4.783055 1.364496 1.141148
H -4.155688 -2.606388 -0.538331
H 6.324361 0.161558 1.530124
H 4.523975 -3.342292 0.137542
H 5.382751 2.347910 0.894194
H 4.020602 2.453924 -0.187008
H -3.101900 3.305248 -1.024866
H -1.396435 2.706328 -1.151455
H -1.795766 4.105845 -0.066660
H -7.582553 -2.162865 0.760732
H -5.998577 -3.007454 0.948143
H -6.522078 -2.412068 -0.678024


