%chk=000240312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240312

0 1
O 3.967852 2.541175 0.133963
O -4.975864 1.356086 -0.009570
O 2.364135 -3.219521 -0.462520
O 3.156848 -1.427497 0.423445
N 1.687296 0.994308 -0.589892
N -2.633603 0.082574 1.001088
N -0.420549 0.533805 0.254095
N -1.427189 -1.668207 -0.092088
N 2.238890 -2.055397 -0.102361
C 1.539827 2.420183 -0.164687
C 3.014783 0.752885 -1.218692
C -2.875385 1.534879 1.233613
C -3.901668 -0.681726 0.822916
C 0.804854 0.032695 -0.173390
C 2.701948 2.794396 0.772668
C 4.134540 1.158559 -0.244969
C -1.475873 -0.336054 0.363985
C -3.754196 2.112316 0.111858
C -4.755364 -0.043203 -0.284072
C 0.980955 -1.399403 -0.270381
C -0.226222 -2.184907 -0.385263
C -0.202065 -3.605791 -0.815541
H 0.560494 2.600963 0.335106
H 1.555723 3.052618 -1.081470
H 3.059194 1.390417 -2.135738
H 3.139486 -0.292613 -1.562313
H -1.914063 2.090901 1.315533
H -3.389840 1.627598 2.218460
H -4.440032 -0.654726 1.798423
H -3.693410 -1.754255 0.596428
H 2.745053 3.881621 0.965348
H 2.657712 2.240329 1.727560
H 4.147834 0.520704 0.661066
H 5.129082 1.156925 -0.724493
H -4.127716 3.124424 0.351270
H -3.232098 2.120946 -0.861083
H -4.291163 -0.150496 -1.280232
H -5.785515 -0.443295 -0.301370
H -1.209880 -4.028149 -0.950075
H 0.357594 -3.732578 -1.758934
H 0.331597 -4.238989 -0.080389


%chk=000240312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240312

0 1
O 4.127770 2.633546 0.089211
O -5.280973 1.356624 0.243256
O 2.513822 -3.126998 -0.909418
O 3.164875 -1.538156 0.595377
N 1.818810 0.962714 -0.362577
N -2.690479 0.168947 0.587837
N -0.408259 0.529267 0.159335
N -1.420897 -1.673895 -0.133291
N 2.281491 -2.047767 -0.220236
C 1.649204 2.372618 0.065672
C 3.067564 0.766473 -1.136733
C -2.899241 1.588580 0.933989
C -3.904390 -0.671420 0.667731
C 0.825108 0.031924 -0.159025
C 2.893433 2.806158 0.870073
C 4.282775 1.218342 -0.302634
C -1.465516 -0.330602 0.204645
C -4.056741 2.159660 0.087494
C -5.028188 -0.035241 -0.173486
C 0.986945 -1.405087 -0.318400
C -0.200027 -2.214001 -0.375968
C -0.189642 -3.701132 -0.642196
H 0.732598 2.451058 0.668733
H 1.540026 3.018600 -0.828829
H 2.997858 1.412980 -2.036536
H 3.184496 -0.269853 -1.475784
H -1.961567 2.134717 0.747940
H -3.155518 1.665993 2.009651
H -4.228345 -0.731454 1.726191
H -3.650272 -1.680314 0.308152
H 2.843068 3.881192 1.110112
H 2.953453 2.216427 1.809734
H 4.383389 0.575191 0.591894
H 5.206486 1.179563 -0.901762
H -4.324948 3.174558 0.423573
H -3.758946 2.188652 -0.983117
H -4.756393 -0.061642 -1.250715
H -5.982048 -0.565398 -0.020072
H -1.218923 -4.075968 -0.540929
H 0.199018 -3.921138 -1.650393
H 0.473124 -4.239217 0.058803


