%chk=000235972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235972

0 1
O -0.068050 2.625078 0.642097
O -0.129237 0.967944 -2.585818
N -4.402107 -2.196380 0.851299
N 4.969944 -1.549094 0.183039
C -0.035387 1.000338 -1.130189
C -0.141736 2.531170 -0.800682
C -1.216906 0.197893 -0.627017
C 1.274510 0.347670 -0.729904
C -1.447742 3.116010 -1.320779
C -1.510202 0.174462 0.744307
C 1.663765 -0.826149 -1.398349
C -2.015588 -0.541313 -1.508315
C 2.090144 0.835883 0.296201
C -3.390056 -1.320549 0.344467
C 3.686647 -0.971180 -0.054493
C -2.582049 -0.569034 1.229602
C 2.848732 -1.477798 -1.077496
C -3.092868 -1.288987 -1.036700
C 3.280321 0.194111 0.633969
C -0.036934 3.978840 1.165614
C 0.405104 3.806509 2.609065
C -4.968271 -1.841268 2.183258
C -5.479592 -2.575284 -0.105877
C 5.133429 -2.978264 -0.204583
C 5.582851 -1.275297 1.512916
H 0.738038 3.062407 -1.226256
H -2.291925 2.800159 -0.691911
H -1.656445 2.745502 -2.337135
H -1.434984 4.207034 -1.354375
H -0.892368 0.759915 1.433702
H 1.015758 -1.233021 -2.179255
H -1.791183 -0.523880 -2.578213
H 1.785296 1.728262 0.856065
H 0.736421 1.175476 -2.988786
H -2.778816 -0.576337 2.298194
H 3.124331 -2.376798 -1.622780
H -3.689207 -1.858293 -1.744363
H 3.893204 0.607624 1.430212
H 0.667667 4.589595 0.576604
H -1.055854 4.396722 1.086544
H 1.445496 3.465592 2.674696
H 0.314462 4.741818 3.170759
H -0.207596 3.045308 3.113220
H -5.509138 -0.882626 2.196161
H -4.152821 -1.793277 2.926714
H -5.655093 -2.637189 2.512955
H -6.096009 -1.727233 -0.441449
H -6.137606 -3.325237 0.361492
H -5.028882 -3.053355 -0.993754
H 4.500018 -3.669834 0.372651
H 6.186609 -3.275543 -0.075201
H 4.895996 -3.098549 -1.276558
H 5.018303 -1.699787 2.357696
H 5.668022 -0.184207 1.660882
H 6.606884 -1.681859 1.535658


%chk=000235972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235972

0 1
O -0.093327 2.555041 0.818013
O 0.027446 1.089494 -2.556038
N -4.787477 -2.001622 0.529973
N 4.970361 -1.581414 0.427522
C -0.046539 0.994185 -1.055671
C -0.178986 2.499459 -0.653251
C -1.291475 0.188649 -0.645373
C 1.260510 0.347516 -0.564781
C -1.465257 3.148817 -1.187790
C -1.514561 -0.166966 0.709768
C 1.377826 -1.067248 -0.528356
C -2.271825 -0.188964 -1.591670
C 2.427550 1.093455 -0.259925
C -3.647487 -1.279158 0.145548
C 3.760631 -0.954749 0.101993
C -2.659881 -0.882118 1.103460
C 2.587105 -1.711251 -0.207273
C -3.424370 -0.909631 -1.217314
C 3.644645 0.471416 0.069715
C 0.143144 3.903504 1.346736
C 0.415660 3.764106 2.845370
C -5.000141 -2.341778 1.939855
C -5.792884 -2.367256 -0.471783
C 5.047424 -3.045255 0.474995
C 6.152435 -0.774173 0.747050
H 0.695798 3.032506 -1.088859
H -2.352181 2.718301 -0.692974
H -1.542851 2.969098 -2.273631
H -1.457484 4.240973 -1.018435
H -0.780139 0.131506 1.464507
H 0.494121 -1.681476 -0.737235
H -2.125961 0.096303 -2.638637
H 2.394478 2.187269 -0.265170
H 0.507590 0.280690 -2.869746
H -2.785897 -1.130938 2.161343
H 2.612734 -2.804623 -0.191550
H -4.150978 -1.178805 -1.989780
H 4.508486 1.099291 0.306913
H 1.014048 4.363282 0.823958
H -0.741128 4.552029 1.169170
H 1.298291 3.124631 3.019093
H 0.598059 4.755039 3.300872
H -0.450133 3.300320 3.349343
H -5.087109 -1.438440 2.579975
H -4.172784 -2.961365 2.343422
H -5.933312 -2.919094 2.041421
H -6.239685 -1.475118 -0.959265
H -6.606211 -2.931239 0.012586
H -5.364691 -3.007747 -1.270618
H 4.349957 -3.472392 1.225289
H 6.069332 -3.350456 0.751198
H 4.809447 -3.503781 -0.507090
H 5.987696 -0.128894 1.635095
H 6.444507 -0.117832 -0.098556
H 7.002773 -1.439400 0.966387


