%chk=000202114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202114

0 1
O 2.509823 -2.194137 -0.842949
O -0.364451 1.041839 -0.925918
O 0.168295 1.022142 1.272454
N -3.986286 1.112368 -0.306319
C 0.427615 -2.094449 0.450931
C -0.505853 -2.219937 -0.771694
C 0.622202 -3.536073 0.970468
C 1.783252 -1.435905 0.128440
C -1.317418 -3.511622 -0.574519
C -0.623865 -4.325676 0.535681
C 1.674021 0.022987 -0.415563
C 2.938239 0.791619 -0.101170
C 0.460072 0.743298 0.133062
C 3.922395 0.923064 -1.092118
C 3.150630 1.346641 1.169674
C -1.641434 1.697868 -0.652771
C -2.589270 0.673924 -0.012171
C 5.105935 1.612416 -0.813232
C 4.334363 2.036402 1.440996
C 5.313609 2.171575 0.451349
C -4.499346 2.038725 0.757307
C -4.894751 -0.041000 -0.569427
C -5.704952 2.821284 0.235615
C -5.081031 -1.033345 0.581368
H -0.080953 -1.495202 1.245471
H -1.167636 -1.333653 -0.869294
H 0.079886 -2.269826 -1.708509
H 1.537558 -3.983694 0.536678
H 0.757226 -3.554292 2.063346
H 2.463092 -1.464688 1.014350
H -2.358946 -3.280379 -0.292355
H -1.374867 -4.088042 -1.512847
H -0.347794 -5.332037 0.179343
H -1.307109 -4.477918 1.388855
H 1.557987 -0.046946 -1.534854
H 1.911016 -2.515275 -1.556016
H 3.773678 0.478126 -2.074784
H 2.386245 1.248172 1.945143
H -1.462167 2.580557 -0.019674
H -1.956706 1.998668 -1.669670
H -2.379782 -0.329247 -0.464949
H -2.365469 0.568504 1.072008
H 5.868477 1.711073 -1.584108
H 4.493464 2.469252 2.427496
H 6.235149 2.708852 0.665610
H -3.685695 2.752685 1.016807
H -4.765940 1.507595 1.696957
H -4.503155 -0.570080 -1.467305
H -5.882418 0.378665 -0.867575
H -5.494798 3.257782 -0.750273
H -6.590714 2.186182 0.125074
H -5.963491 3.639859 0.915469
H -4.137699 -1.506525 0.873936
H -5.491165 -0.546050 1.473640
H -5.775064 -1.833123 0.300838


%chk=000202114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202114

0 1
O 2.925594 -2.113041 0.288543
O -0.465663 0.863281 -1.107737
O -0.003775 1.085219 1.169921
N -4.129244 1.364897 -0.286004
C 0.438242 -2.285677 0.516096
C 0.120837 -2.866988 -0.891796
C 0.524733 -3.534973 1.454610
C 1.691388 -1.378588 0.601679
C -0.798157 -4.070330 -0.575923
C -0.138622 -4.718374 0.674292
C 1.590496 -0.102691 -0.310942
C 2.826359 0.793013 -0.181515
C 0.320144 0.670780 0.030683
C 3.721915 0.914500 -1.271319
C 3.107832 1.491686 1.020038
C -1.755346 1.597596 -0.913296
C -2.883457 0.611963 -0.547230
C 4.885951 1.708660 -1.165128
C 4.269138 2.287163 1.127004
C 5.164135 2.397621 0.037077
C -4.242521 1.827130 1.122179
C -5.352848 0.763046 -0.870090
C -5.264107 2.963506 1.309019
C -5.836144 -0.568392 -0.230891
H -0.431285 -1.671659 0.828367
H -0.345316 -2.127995 -1.567443
H 1.045432 -3.238442 -1.385532
H 1.581813 -3.756836 1.684863
H 0.010955 -3.337130 2.412306
H 1.841934 -1.051975 1.645589
H -1.812933 -3.702221 -0.325769
H -0.898907 -4.773449 -1.422226
H 0.633825 -5.443254 0.354961
H -0.868644 -5.273814 1.289533
H 1.502211 -0.433732 -1.361892
H 2.850415 -2.483004 -0.628534
H 3.509311 0.384081 -2.207894
H 2.409804 1.423418 1.861995
H -1.618324 2.356852 -0.124430
H -1.950523 2.080906 -1.881894
H -3.040306 -0.080749 -1.394405
H -2.561156 -0.003074 0.325244
H 5.571350 1.789362 -2.016454
H 4.475754 2.822926 2.060494
H 6.065548 3.014839 0.123340
H -3.244476 2.191815 1.429008
H -4.488398 0.985663 1.817167
H -5.158806 0.599868 -1.947621
H -6.166083 1.510220 -0.815561
H -5.037937 3.797553 0.621403
H -6.299645 2.628789 1.117640
H -5.224729 3.341899 2.346902
H -5.055194 -1.349339 -0.289387
H -6.108199 -0.435943 0.831957
H -6.730365 -0.943580 -0.762692


