%chk=000194759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194759

1 1
O 2.375294 -0.212896 1.766629
O 0.622677 1.178356 -1.714655
O 2.076060 -2.331782 1.054916
N 3.714088 -0.016135 -1.504352
N -0.654726 -0.477424 1.691726
C 3.448352 0.710090 -0.185498
C 2.752380 -1.162318 -1.699998
C 3.524237 0.976496 -2.633725
C 5.134187 -0.536120 -1.535335
C 3.651178 -0.122524 1.082285
C -1.070174 -1.092723 0.451742
C -0.462222 0.954692 1.673330
C 0.352701 -1.241520 2.461118
C -0.834297 -0.442584 -0.780421
C -0.226379 1.628704 0.454119
C 1.660345 -1.393487 1.687344
C -0.107886 0.843589 -0.790057
C -1.739040 -2.327778 0.486396
C -0.552951 1.674926 2.876835
C -1.303420 -1.024807 -1.970533
C -0.113456 3.029874 0.448635
C -2.193877 -2.889057 -0.706755
C -0.437208 3.064259 2.848412
C -1.977911 -2.241820 -1.933562
C -0.217286 3.742990 1.639199
H 4.090844 1.622495 -0.143163
H 2.391836 1.107104 -0.195813
H 2.981343 -1.741903 -2.611317
H 2.760721 -1.876251 -0.846683
H 1.706304 -0.795549 -1.808027
H 3.671156 0.505696 -3.622223
H 2.483248 1.389215 -2.633906
H 4.218039 1.830446 -2.561115
H 5.383638 -0.978772 -2.519338
H 5.870306 0.266262 -1.345691
H 5.298764 -1.329326 -0.781629
H 4.067363 -1.134268 0.913443
H 4.273790 0.417332 1.828607
H 0.541380 -0.744776 3.446236
H -0.045966 -2.263805 2.691529
H -1.931719 -2.827535 1.436608
H -0.749010 1.159218 3.817553
H -1.138829 -0.505077 -2.918647
H 0.047512 3.547209 -0.501292
H -2.731800 -3.841515 -0.685157
H -0.527157 3.633030 3.778492
H -2.350937 -2.691616 -2.855471
H -0.140392 4.831586 1.636210


%chk=000194759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194759

1 1
O 2.068544 -0.873614 1.232051
O 0.206488 1.443137 -2.024561
O 2.347073 -0.986652 3.553427
N 3.624044 -0.011989 -1.522434
N -0.585179 -0.475541 1.529535
C 3.457685 0.611569 -0.112603
C 2.634600 -1.153060 -1.765896
C 3.355782 1.096014 -2.552964
C 5.048484 -0.529847 -1.700122
C 3.452479 -0.361836 1.069414
C -1.022717 -1.094592 0.332551
C -0.368207 0.925658 1.564066
C 0.083026 -1.283525 2.569230
C -0.908887 -0.393444 -0.911817
C -0.253208 1.661299 0.340342
C 1.605788 -1.044239 2.559187
C -0.297686 0.946642 -0.947079
C -1.570244 -2.408466 0.337275
C -0.208063 1.612092 2.800960
C -1.338557 -1.018086 -2.116654
C -0.023451 3.065032 0.377883
C -1.993833 -3.002388 -0.863311
C 0.012255 3.000495 2.813648
C -1.879059 -2.311145 -2.101462
C 0.099424 3.738998 1.601640
H 4.294600 1.324537 -0.008668
H 2.512284 1.178508 -0.124203
H 2.803087 -1.536105 -2.784440
H 2.800976 -1.949681 -1.027512
H 1.611408 -0.767557 -1.675460
H 3.558436 0.693113 -3.557487
H 2.299061 1.407836 -2.476365
H 4.030099 1.941953 -2.346444
H 5.150889 -0.945433 -2.713895
H 5.755805 0.303277 -1.567760
H 5.253741 -1.318900 -0.961603
H 4.142113 -1.217604 0.958332
H 3.741727 0.177220 1.990336
H -0.277809 -1.059345 3.585244
H -0.101682 -2.353393 2.387445
H -1.721332 -2.947456 1.277961
H -0.291120 1.080814 3.752960
H -1.244423 -0.446676 -3.045985
H 0.042708 3.594918 -0.578029
H -2.439480 -4.002268 -0.836999
H 0.101593 3.517428 3.774791
H -2.229488 -2.779587 -3.025882
H 0.251327 4.822093 1.628363


