%chk=000211739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211739

0 1
O 0.133579 0.597601 -1.597283
O -0.265116 2.701512 2.473691
O -2.979876 -2.624768 1.280846
N -0.275929 1.842130 0.309899
N -4.229759 0.294471 -0.654151
C 1.209279 -0.042414 0.564556
C 1.163094 0.795774 1.876256
C 0.506369 -1.404258 0.767293
C 0.335662 0.780783 -0.420251
C 2.638402 -0.234170 0.095685
C 0.140721 1.895031 1.675975
C -1.320214 2.735030 -0.257157
C 0.520971 -2.289838 -0.486056
C -2.725365 2.144493 -0.088289
C 3.580624 -0.748808 1.004308
C 3.041853 0.060444 -1.212996
C -3.041697 1.069065 -1.143235
C -0.263328 -3.577172 -0.255164
C 4.906294 -0.942819 0.612514
C 4.371596 -0.134197 -1.601047
C 5.307441 -0.631555 -0.691229
C -3.896952 -1.145090 -0.419141
C -5.391320 0.430698 -1.579590
C -3.155570 -1.244275 0.925070
H 2.149212 1.248658 2.111792
H 0.908715 0.183649 2.762098
H 0.989864 -1.945581 1.604056
H -0.551022 -1.238463 1.087591
H -1.083578 2.910109 -1.331768
H -1.253142 3.716409 0.269212
H 0.096159 -1.735900 -1.349895
H 1.565665 -2.526555 -0.771235
H -3.478333 2.955137 -0.146207
H -2.849726 1.725202 0.932041
H 3.279226 -1.007346 2.017954
H 2.323452 0.429862 -1.950067
H -3.227731 1.550921 -2.125702
H -2.155000 0.416300 -1.308293
H -1.292363 -3.372903 0.085283
H -0.333888 -4.168172 -1.174064
H 0.203940 -4.208259 0.508243
H 5.629131 -1.340141 1.323546
H 4.674061 0.101852 -2.620754
H 6.341700 -0.780601 -0.995000
H -4.833909 -1.740035 -0.366558
H -3.286614 -1.606671 -1.225067
H -6.271029 -0.056892 -1.129059
H -5.236547 0.010164 -2.584047
H -5.638519 1.500275 -1.683866
H -2.105471 -0.880217 0.863116
H -3.688466 -0.714431 1.733454
H -3.839651 -3.044739 1.474190


%chk=000211739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211739

0 1
O 0.363601 0.746119 -1.758595
O -0.387064 2.695657 2.421385
O -3.629658 -3.196877 0.932726
N -0.238440 1.862870 0.217597
N -4.309356 0.259396 -0.479327
C 1.380787 0.100571 0.472674
C 1.293901 0.953866 1.779947
C 0.663839 -1.288424 0.723467
C 0.501970 0.905717 -0.518840
C 2.829882 -0.136286 0.012080
C 0.138179 1.929626 1.578015
C -1.286114 2.718455 -0.375295
C 0.539725 -2.229655 -0.493271
C -2.713906 2.178601 -0.121622
C 3.793755 -0.502814 0.990353
C 3.240292 -0.058668 -1.343206
C -2.960940 0.803412 -0.776361
C -0.132561 -3.567563 -0.109697
C 5.130990 -0.774494 0.630133
C 4.581802 -0.324622 -1.703087
C 5.532921 -0.684084 -0.722562
C -4.335699 -1.222310 -0.441199
C -5.369613 0.858931 -1.313518
C -3.858291 -1.741402 0.933090
H 2.214418 1.543385 1.942128
H 1.121261 0.351745 2.687831
H 1.242892 -1.801273 1.518043
H -0.344719 -1.091807 1.146170
H -1.072826 2.774329 -1.458121
H -1.182537 3.722963 0.070799
H -0.037438 -1.734929 -1.296809
H 1.547180 -2.421812 -0.908764
H -3.425007 2.928088 -0.520130
H -2.900395 2.104093 0.964636
H 3.502256 -0.577242 2.045405
H 2.509399 0.202340 -2.113486
H -2.780370 0.872798 -1.878360
H -2.212199 0.088239 -0.389439
H -1.164775 -3.423481 0.260407
H -0.182540 -4.243485 -0.983188
H 0.441209 -4.087346 0.681806
H 5.856221 -1.054379 1.402594
H 4.880377 -0.254240 -2.755276
H 6.570639 -0.892076 -1.006287
H -5.375787 -1.562629 -0.615036
H -3.705475 -1.688869 -1.236492
H -6.357679 0.488898 -0.987531
H -5.254488 0.637823 -2.404621
H -5.370579 1.956367 -1.191328
H -2.875101 -1.312278 1.187136
H -4.578047 -1.439399 1.720264
H -4.488998 -3.662545 0.774262


