%chk=000186712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186712

0 1
O 0.875285 -2.343190 -0.023362
O 0.747554 2.329507 0.044288
O -5.252520 -0.316866 -0.066717
N 2.526600 -0.655940 -0.165017
N 2.488018 0.734770 0.192510
N 0.328165 -0.019833 0.008633
C 3.717485 -1.359497 0.400125
C 3.641420 1.501948 -0.367607
C 4.974317 -0.647027 -0.130780
C 4.932775 0.858695 0.168853
C 1.188578 -1.180280 -0.006964
C 1.124249 1.185224 0.028362
C -1.114162 -0.057676 0.004314
C -1.779351 -1.237263 -0.397131
C -1.842870 1.075451 0.397240
C -3.165632 -1.277155 -0.401753
C -3.239796 1.043819 0.389743
C -3.888643 -0.130164 -0.008003
C -6.101791 0.792000 0.314326
H 3.668731 -2.416134 0.049524
H 3.707605 -1.368972 1.512141
H 3.533944 2.554355 -0.017586
H 3.635879 1.510674 -1.479682
H 5.061531 -0.810637 -1.224466
H 5.874545 -1.103589 0.322928
H 5.006269 1.026624 1.262870
H 5.808846 1.363444 -0.281071
H -1.209758 -2.124314 -0.694667
H -1.329838 1.993866 0.701135
H -3.705904 -2.173577 -0.702433
H -3.794453 1.927209 0.690808
H -5.934921 1.056664 1.362281
H -7.103315 0.365136 0.171504
H -5.939942 1.642628 -0.353844


%chk=000186712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186712

0 1
O 0.906809 -2.402190 0.115909
O 0.752802 2.367154 -0.094124
O -5.304162 -0.316198 -0.099128
N 2.518554 -0.675532 -0.048746
N 2.472023 0.747894 0.079772
N 0.361678 -0.032534 0.004946
C 3.729276 -1.361557 0.432575
C 3.639451 1.511305 -0.392747
C 4.973194 -0.642356 -0.133247
C 4.923283 0.874765 0.183010
C 1.216280 -1.185460 0.028396
C 1.140368 1.172467 -0.008231
C -1.078241 -0.078066 -0.006578
C -1.752674 -1.243599 -0.461694
C -1.830396 1.038083 0.430351
C -3.156057 -1.283503 -0.471761
C -3.241063 0.999155 0.410831
C -3.909773 -0.164718 -0.039300
C -6.124495 0.814539 0.339652
H 3.659238 -2.408102 0.095022
H 3.753278 -1.355254 1.542919
H 3.498538 2.551243 -0.056967
H 3.672244 1.505214 -1.502875
H 5.017708 -0.794127 -1.228889
H 5.879877 -1.097459 0.303960
H 4.949352 1.028804 1.278904
H 5.801909 1.387356 -0.247726
H -1.181258 -2.117638 -0.779327
H -1.319130 1.944836 0.759256
H -3.688301 -2.175859 -0.813920
H -3.796458 1.879191 0.747724
H -5.941509 1.056101 1.404985
H -7.165022 0.483042 0.208462
H -5.938422 1.712904 -0.280912


