%chk=000216776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216776

0 1
O 4.624221 0.097037 -0.562588
N -2.604505 0.719390 -1.161656
C -0.071393 -1.104352 -0.678984
C -1.247993 -0.774922 0.258484
C -1.428973 0.700458 -0.261204
C -0.699661 -0.897183 -2.118272
C 0.408536 -2.553638 -0.487961
C -0.969678 -1.081971 1.734457
C 1.027768 -0.073273 -0.271599
C -0.718797 1.606319 0.736146
C -2.194279 -0.370804 -2.178886
C 0.676675 -2.864336 0.993005
C -0.543467 -2.553719 1.873461
C 0.731617 1.122205 0.495186
C -3.932326 0.453997 -0.530755
C 2.346522 -0.337521 -0.603049
C 1.771965 1.921857 0.946955
C 3.377453 0.516086 -0.142735
C 3.114573 1.629739 0.646737
C -4.311779 1.618369 0.343816
C -5.261012 1.545780 1.274485
C 5.768159 0.889089 -0.165035
H -2.140423 -1.399427 0.011369
H -0.713490 1.012711 -1.145089
H -0.674297 -1.850401 -2.670870
H -0.058253 -0.200353 -2.686736
H 1.318608 -2.747049 -1.085704
H -0.363418 -3.248015 -0.872619
H -1.874777 -0.881364 2.335631
H -0.173993 -0.440413 2.157514
H -1.035204 1.490547 1.783263
H -0.825310 2.677321 0.492618
H -2.343293 0.108311 -3.168175
H -2.871612 -1.242034 -2.120437
H 1.546965 -2.273253 1.343073
H 0.961543 -3.926534 1.104587
H -1.383350 -3.220127 1.601736
H -0.307546 -2.774771 2.930884
H -3.965685 -0.498514 0.045867
H -4.685184 0.360624 -1.349056
H 2.622152 -1.203960 -1.203509
H 1.555271 2.809487 1.542605
H 3.901418 2.272838 1.020679
H -3.759050 2.541140 0.147735
H -5.547963 2.385378 1.889562
H -5.825101 0.653084 1.495951
H 5.867631 0.892571 0.924077
H 5.688735 1.901932 -0.570110
H 6.595701 0.341562 -0.634055


%chk=000216776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216776

0 1
O 4.710524 0.118022 -0.481568
N -2.636176 0.708684 -1.198959
C -0.083563 -1.134333 -0.693744
C -1.258901 -0.806400 0.249091
C -1.476368 0.660136 -0.269947
C -0.726137 -0.880578 -2.161786
C 0.388441 -2.601393 -0.518603
C -0.995088 -1.138343 1.732949
C 1.017073 -0.072156 -0.262534
C -0.781600 1.630706 0.691138
C -2.255425 -0.417412 -2.190649
C 0.642942 -2.956747 0.968703
C -0.588973 -2.631616 1.852906
C 0.696567 1.143210 0.486519
C -3.995929 0.519462 -0.635582
C 2.372114 -0.336032 -0.543577
C 1.755742 1.966150 0.916952
C 3.414020 0.521041 -0.110012
C 3.113753 1.677213 0.642373
C -4.398254 1.700806 0.221499
C -4.886941 1.610565 1.483575
C 5.822267 0.971958 -0.062297
H -2.130046 -1.429601 -0.036827
H -0.740213 0.808101 -1.071298
H -0.686552 -1.830408 -2.732421
H -0.107073 -0.157766 -2.725912
H 1.283206 -2.825935 -1.131336
H -0.421512 -3.255456 -0.905054
H -1.903929 -0.937652 2.334487
H -0.184136 -0.516913 2.154219
H -1.107740 1.568298 1.745085
H -0.863969 2.685739 0.367490
H -2.496093 -0.080014 -3.217536
H -2.885085 -1.312707 -1.987032
H 1.518731 -2.389558 1.339733
H 0.897054 -4.031338 1.054823
H -1.440303 -3.272819 1.540426
H -0.370993 -2.882375 2.909337
H -4.100340 -0.426782 -0.045126
H -4.696410 0.440519 -1.493234
H 2.663368 -1.230121 -1.103720
H 1.514352 2.881136 1.472393
H 3.897116 2.353113 0.997828
H -4.269135 2.684079 -0.254049
H -5.181832 2.500265 2.051434
H -5.009490 0.641351 1.984005
H 5.885827 1.040501 1.041722
H 5.732705 1.990090 -0.489875
H 6.726106 0.483211 -0.455211


