%chk=000145956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000145956

0 1
O -1.723265 -2.843186 0.145547
N 2.889604 1.098778 0.065281
N 4.418840 2.743891 -0.247988
C -1.130528 -1.733545 -0.574711
C -1.946865 -0.480729 -0.355252
C 0.331001 -1.619812 -0.171227
C -2.545853 0.174084 -1.451390
C -2.133974 0.041753 0.944645
C 1.109391 -2.749115 0.162573
C 0.930109 -0.354366 -0.212992
C -3.322465 1.323274 -1.247035
C -2.914388 1.190023 1.133880
C -3.513243 1.833963 0.043101
C 2.287726 -0.202783 0.106817
C 2.468174 -2.575666 0.482527
C -2.372855 -0.305298 -2.858238
C -1.498865 -0.586992 2.141902
C 3.064366 -1.317254 0.465005
C 0.534073 -4.124162 0.189280
C -4.333096 3.065373 0.248844
C 2.269540 2.314096 0.416414
C 4.209725 1.414741 -0.337333
C 3.227237 3.307593 0.218662
H -1.164584 -2.059969 -1.652975
H 0.338893 0.519155 -0.499942
H -3.778292 1.823320 -2.098236
H -3.053097 1.586683 2.136899
H 3.069456 -3.444622 0.752772
H -1.924784 -1.310443 -2.923695
H -1.718641 0.375130 -3.424297
H -3.332593 -0.348973 -3.392436
H -0.497449 -0.160747 2.313510
H -2.080220 -0.433210 3.059182
H -1.350424 -1.674476 2.028823
H 4.114070 -1.203801 0.731898
H -0.077951 -4.327934 -0.704108
H 1.290578 -4.912163 0.263937
H -0.158982 -4.235560 1.042317
H -2.644403 -2.628669 0.403273
H -4.741426 3.135760 1.265896
H -3.725108 3.967847 0.082041
H -5.184539 3.118268 -0.443465
H 1.259677 2.378100 0.770585
H 4.920717 0.678226 -0.675619
H 3.140314 4.367921 0.377727


%chk=000145956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145956

0 1
O -1.634653 -2.735356 0.850789
N 2.912695 1.095406 0.216992
N 4.386677 2.809637 -0.041186
C -1.182931 -1.777360 -0.203126
C -1.986916 -0.475646 -0.156991
C 0.338522 -1.643666 -0.075446
C -2.573191 0.017446 -1.366342
C -2.184537 0.247194 1.064275
C 1.170742 -2.805086 -0.157006
C 0.932565 -0.366303 0.024819
C -3.357571 1.194531 -1.333979
C -2.989008 1.414173 1.048805
C -3.582240 1.910247 -0.134432
C 2.334970 -0.213243 0.104794
C 2.574223 -2.627406 -0.074000
C -2.374687 -0.679753 -2.707246
C -1.543079 -0.157867 2.385580
C 3.164060 -1.356175 0.073135
C 0.607325 -4.202282 -0.341737
C -4.411748 3.182202 -0.125578
C 2.361465 2.209599 0.877064
C 4.137629 1.517254 -0.319229
C 3.281030 3.244782 0.713340
H -1.376122 -2.269809 -1.179228
H 0.292685 0.521284 0.010868
H -3.803806 1.560464 -2.267381
H -3.147942 1.952285 1.992327
H 3.220754 -3.511401 -0.118116
H -2.816423 -1.695032 -2.722402
H -1.305438 -0.782397 -2.970147
H -2.857684 -0.102433 -3.513547
H -0.508761 0.232234 2.455989
H -2.109814 0.259546 3.236213
H -1.475374 -1.251109 2.491557
H 4.249931 -1.256972 0.172284
H -0.087838 -4.249240 -1.202106
H 1.416578 -4.931274 -0.518098
H 0.023855 -4.511563 0.540973
H -2.622282 -2.798787 0.786427
H -4.853816 3.370621 0.868281
H -3.790592 4.062427 -0.382171
H -5.232245 3.135852 -0.863333
H 1.419315 2.154900 1.414953
H 4.766868 0.869164 -0.923479
H 3.222413 4.263414 1.089241


