%chk=000181898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181898

0 1
O 4.177948 -1.700367 1.183027
O 4.512520 -1.248794 -0.990204
N 0.371998 -0.011748 0.142421
N 1.516795 -0.734096 0.047755
N -0.951725 -2.009532 -0.147672
N -2.111407 -2.617266 -0.271095
C 3.038058 1.253693 0.540517
C 3.113491 2.103595 -0.737455
C -2.079608 0.166979 0.057404
C -3.313182 -0.520415 -0.076975
C 2.678381 -0.169217 0.214453
C -0.879705 -0.657316 0.013058
C 3.454297 3.556082 -0.424190
C -2.092042 1.583617 0.219631
C -4.537779 0.211240 -0.044942
C -3.283258 2.269206 0.247225
C -3.269760 -1.948110 -0.242914
C -4.520079 1.575701 0.114107
C 3.852452 -1.080024 0.003577
H 4.011985 1.290300 1.076563
H 2.314869 1.684934 1.261362
H 2.158410 2.046958 -1.294528
H 3.876919 1.673410 -1.421349
H 3.512050 4.152693 -1.343472
H 4.426088 3.645983 0.076955
H 2.706574 4.025848 0.223642
H -1.149142 2.121192 0.319344
H -5.476926 -0.332956 -0.148980
H 0.373699 0.998119 0.333269
H -3.300139 3.352355 0.370302
H -4.191708 -2.527485 -0.351134
H -5.448568 2.147685 0.140255
H 4.941196 -2.334563 1.083241


%chk=000181898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181898

0 1
O 3.791862 -2.386367 -0.257044
O 5.172205 -0.587297 0.241649
N 0.477234 -0.125324 0.257839
N 1.614365 -0.874756 0.132402
N -0.884660 -2.055679 0.364907
N -2.143692 -2.665505 0.352768
C 2.974657 1.215336 0.635182
C 2.917133 2.147428 -0.612908
C -1.949261 0.170791 0.048470
C -3.235892 -0.472208 0.099041
C 2.775853 -0.252205 0.296288
C -0.802783 -0.709086 0.217316
C 3.063283 3.633937 -0.225736
C -1.888970 1.582442 -0.170912
C -4.426171 0.307369 -0.031063
C -3.067980 2.327751 -0.297664
C -3.250477 -1.901481 0.251564
C -4.343607 1.690565 -0.219273
C 4.009897 -1.059911 0.102423
H 3.966679 1.325718 1.104917
H 2.227879 1.549843 1.388020
H 1.971842 1.991856 -1.172219
H 3.733361 1.858167 -1.300617
H 3.042772 4.283592 -1.119270
H 4.020320 3.810643 0.298533
H 2.247447 3.958982 0.448470
H -0.927716 2.100552 -0.266642
H -5.399156 -0.194827 0.013517
H 0.534661 0.883550 0.446462
H -3.013991 3.408377 -0.467231
H -4.197221 -2.452496 0.282396
H -5.254473 2.290125 -0.318778
H 4.677304 -2.832183 -0.349609


