%chk=000196643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196643

0 1
O 0.433663 1.479039 1.901703
O -0.130216 -1.431868 -1.351732
O -0.528580 -5.311883 0.126577
O 3.914403 2.354030 -1.115089
O 3.959996 3.201923 0.958736
O 2.365230 -1.210854 -1.528917
O 2.422669 -2.305342 0.430707
N -1.290214 -0.501259 0.368297
N 1.531468 1.074903 -0.059676
N -6.638133 3.638020 -0.401855
N -2.529807 -3.230708 0.219425
C -0.946680 0.883987 -0.031501
C -2.025673 1.889206 0.390776
C -3.328155 1.699163 -0.393578
C -4.376576 2.736537 0.023983
C 0.373847 1.192159 0.723482
C 2.857975 1.023181 0.579484
C -5.691405 2.536325 -0.747688
C -0.796448 -1.589156 -0.329793
C -1.070976 -2.965255 0.292909
C 3.673804 -0.208265 0.130450
C -0.194217 -4.030287 -0.409204
C 3.619070 2.311093 0.225482
C 2.778284 -1.361639 -0.237906
H -0.797284 0.921362 -1.147377
H -2.211089 1.819920 1.484343
H -1.637158 2.919294 0.238376
H -3.130897 1.780114 -1.481360
H -3.723332 0.675785 -0.236569
H -3.999798 3.764627 -0.159762
H -4.561431 2.680138 1.113833
H -1.929501 -0.617285 1.156249
H 2.726004 1.015161 1.707734
H 1.495757 0.796416 -1.050631
H -6.102465 1.523522 -0.546543
H -5.499604 2.592366 -1.843391
H -0.783626 -2.934320 1.382320
H 4.310138 0.048429 -0.753877
H 4.372313 -0.518478 0.937646
H -0.430487 -4.122749 -1.486334
H 0.885306 -3.813413 -0.280592
H -7.519182 3.511811 -0.890594
H -6.846620 3.635671 0.591769
H -2.732878 -4.115809 0.689382
H -2.821694 -3.352496 -0.750151
H -0.056127 -5.463995 0.972350
H 4.378674 3.195615 -1.379810
H 1.623354 -1.851035 -1.802684


%chk=000196643-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196643

0 1
O 0.436918 1.351543 1.973215
O 0.067267 -1.550559 -1.675902
O -2.382566 -4.945645 0.002781
O 3.516527 3.254311 -0.417175
O 4.856053 2.659242 1.387575
O 2.571637 -1.058445 -1.527018
O 2.357355 -1.980684 0.602472
N -1.014335 -0.560689 0.154282
N 1.728754 1.256721 0.031399
N -6.732324 2.971435 -0.699025
N -1.159224 -2.811801 1.539516
C -0.713380 0.854858 -0.148885
C -1.908822 1.772078 0.181266
C -3.177258 1.447061 -0.635938
C -4.356673 2.379575 -0.282577
C 0.526617 1.213680 0.716975
C 3.010726 1.167745 0.731531
C -5.641473 2.046846 -1.068477
C -0.553392 -1.626260 -0.550327
C -0.844768 -2.987079 0.108550
C 3.865236 -0.060785 0.215063
C -2.052983 -3.648267 -0.604252
C 3.883168 2.420482 0.642469
C 2.890324 -1.160113 -0.187644
H -0.466008 0.908041 -1.225664
H -2.114029 1.706557 1.267583
H -1.597903 2.817806 -0.011126
H -2.952935 1.531757 -1.719706
H -3.470489 0.392171 -0.459951
H -4.091014 3.435303 -0.483532
H -4.566161 2.307651 0.806187
H -1.412082 -0.835116 1.074888
H 2.770586 1.014345 1.799011
H 1.733134 1.150208 -0.986130
H -5.886872 0.966530 -0.908755
H -5.442526 2.169834 -2.151019
H 0.061936 -3.603545 -0.074280
H 4.465346 0.227056 -0.663539
H 4.531143 -0.395872 1.024396
H -2.958754 -3.037576 -0.452767
H -1.844395 -3.738054 -1.687321
H -7.556729 2.921854 -1.305146
H -6.986524 2.933798 0.293657
H -0.319654 -2.714590 2.123212
H -1.781803 -3.551868 1.886456
H -1.677998 -5.603583 -0.226016
H 4.133535 4.035545 -0.448716
H 1.648515 -1.479800 -1.732200


