%chk=000186587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186587

0 1
O 4.549023 1.553458 -0.546452
O 6.625226 -0.298429 0.181503
O -5.507380 -1.201168 1.039284
O -5.003175 -2.186042 -1.460912
N -3.515545 -1.062790 -0.107474
C 0.524042 0.393732 0.109991
C 2.929846 -0.072044 0.152787
C 1.872065 0.860231 0.169941
C -0.579389 1.330087 0.103868
C 4.383211 0.348032 0.224890
C 0.254898 -1.000461 0.056360
C 2.642012 -1.456736 0.138168
C -1.925424 0.871897 0.028231
C 5.358594 -0.699362 -0.377584
C 1.319803 -1.910896 0.084844
C -0.322003 2.728021 0.172107
C -2.149124 -0.572098 -0.030398
C -1.117819 -1.458774 -0.015458
C 2.084359 2.297390 0.258470
C 3.728055 -2.449457 0.198826
C 1.055342 3.175914 0.258613
C 5.004323 -2.109842 -0.014196
C -2.974490 1.804141 0.008857
C -1.392869 3.635855 0.156048
C -2.706841 3.172908 0.072501
C -4.307299 -1.117186 1.106503
C -4.037340 -1.469259 -1.399812
C -3.529088 -1.026169 2.382899
C -3.278252 -0.955625 -2.584377
H 4.670014 0.569614 1.283963
H 5.419844 -0.580997 -1.488261
H 1.114196 -2.981069 0.062635
H -1.294222 -2.534830 -0.056205
H 3.120542 2.655454 0.312635
H 3.437092 -3.475101 0.433335
H 1.232851 4.250001 0.322349
H 5.826137 -2.818450 0.046303
H -4.009674 1.463472 -0.058155
H -1.196238 4.706673 0.207349
H -3.532527 3.885134 0.056897
H 5.500312 1.819385 -0.525080
H 7.327490 -0.938560 -0.043344
H -2.742550 -1.791306 2.452160
H -3.040557 -0.046858 2.503625
H -4.200007 -1.164109 3.246513
H -2.283982 -1.417586 -2.673966
H -3.826670 -1.182271 -3.513245
H -3.125414 0.133775 -2.549534


%chk=000186587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186587

0 1
O 4.794060 1.645705 -0.123290
O 6.725569 -0.276091 0.096094
O -5.573127 -1.293552 1.115507
O -5.123656 -2.166946 -1.474155
N -3.550505 -1.060574 -0.093382
C 0.513927 0.422747 0.082580
C 2.956718 -0.052585 0.141964
C 1.886434 0.896524 0.144187
C -0.588273 1.348983 0.075064
C 4.436601 0.297695 0.332285
C 0.237248 -0.991549 0.045531
C 2.655942 -1.456495 0.118400
C -1.953826 0.877683 0.009247
C 5.382540 -0.692576 -0.378018
C 1.317873 -1.902761 0.075700
C -0.335823 2.767878 0.133658
C -2.188415 -0.557636 -0.029464
C -1.129972 -1.446992 -0.007878
C 2.095704 2.334574 0.214735
C 3.737329 -2.459964 0.155258
C 1.034334 3.218328 0.211219
C 5.040319 -2.126871 -0.054352
C -3.018711 1.818793 -0.014785
C -1.427611 3.675967 0.116204
C -2.753795 3.203465 0.038756
C -4.332139 -1.130212 1.125624
C -4.084218 -1.477035 -1.374482
C -3.540291 -0.981726 2.420739
C -3.280785 -1.035651 -2.595347
H 4.665408 0.209836 1.422092
H 5.317941 -0.514864 -1.475990
H 1.113751 -2.980335 0.059375
H -1.330384 -2.524709 -0.029971
H 3.123883 2.695988 0.250603
H 3.449835 -3.504641 0.324057
H 1.222591 4.297307 0.262144
H 5.837478 -2.879355 -0.065910
H -4.051923 1.461565 -0.074514
H -1.227183 4.752526 0.161578
H -3.586595 3.914293 0.020786
H 5.785447 1.688510 -0.046699
H 7.426253 -0.708069 -0.452381
H -2.714487 -1.711204 2.480170
H -3.096512 0.026095 2.508812
H -4.236854 -1.139918 3.257170
H -2.336759 -1.602499 -2.680308
H -3.894004 -1.237583 -3.486184
H -3.019935 0.035628 -2.554428


