%chk=000194783.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194783

0 1
S -0.143348 -1.380566 4.482908
P 2.640547 0.447510 -1.752423
P 2.772697 -1.979251 -0.004031
O -0.972001 2.896871 0.361433
O -0.842489 1.488523 3.281162
O 1.453029 1.691452 2.324515
O 2.050256 1.918241 -1.407820
O 2.646947 -0.326283 -0.261903
O 1.397516 -0.292287 -2.505466
O 3.978363 0.388854 -2.336874
O 4.382413 -2.228981 -0.187647
O 1.844903 -2.567527 -1.003247
N -2.554421 1.163349 0.114937
N -4.230512 0.720150 -1.407259
N -1.113128 -0.852474 -0.346893
N -2.067021 -2.316703 -2.059349
N -4.113850 -1.863043 -3.152617
N 2.622106 -2.294821 1.643813
C -0.804523 1.070050 1.926514
C 0.579530 1.284943 1.263089
C -1.775629 1.951079 1.086179
C 0.402234 2.436066 0.247658
C 0.612808 2.040439 -1.219244
C -2.204365 -0.037696 -0.527131
C -3.797764 1.582757 -0.490306
C -3.266169 -0.303391 -1.459694
C -3.167296 -1.495366 -2.238584
C -1.119061 -1.962865 -1.145127
C 1.310893 -2.221932 2.349509
C 1.416588 -1.285383 3.552077
H -1.112252 -0.003910 1.972190
H 0.965059 0.345673 0.805864
H -2.460033 2.582820 1.703988
H 1.012888 3.328487 0.516704
H 0.331675 2.876497 -1.895419
H 0.044569 1.135677 -1.516232
H -0.201680 2.235299 3.443554
H 2.375395 1.770087 1.983281
H -4.282593 2.501769 -0.188284
H -0.251620 -2.656961 -1.047538
H -4.009522 -2.709066 -3.692411
H -4.922053 -1.280618 -3.313414
H 1.295977 -1.310234 -2.380630
H 3.451407 -2.283618 2.261175
H 1.050398 -3.259012 2.683741
H 0.490281 -1.902805 1.662114
H 2.235734 -1.586445 4.234140
H 1.632574 -0.239185 3.248698
H 4.824816 -1.857883 -1.007810
H -0.567370 -0.091887 4.347810


%chk=000194783-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194783

0 1
S 0.635096 -2.762654 5.000937
P 3.128410 0.242716 -1.293323
P 3.900154 -1.659853 0.840032
O -1.059523 2.818616 -0.443247
O -1.063445 2.226872 2.669575
O 1.066437 0.983566 1.867801
O 2.321946 1.700423 -1.510416
O 3.068780 -0.095000 0.460161
O 2.088997 -0.951604 -1.916365
O 4.665559 0.222112 -1.705611
O 5.517852 -1.257620 0.531095
O 3.121090 -2.734968 -0.057115
N -3.094996 1.531181 -0.295058
N -5.157487 1.148449 -1.240948
N -1.846212 -0.389884 -1.298297
N -3.281008 -1.759782 -2.752284
N -5.563808 -1.276149 -3.122947
N 3.891934 -1.896942 2.503864
C -1.295121 1.386259 1.502488
C 0.055974 1.045569 0.814279
C -2.062765 2.245545 0.469679
C 0.278892 2.221130 -0.180184
C 0.819132 1.829907 -1.563552
C -2.956138 0.379111 -1.084720
C -4.433607 1.946943 -0.441379
C -4.240729 0.161862 -1.652493
C -4.379208 -0.963689 -2.517288
C -2.101911 -1.435172 -2.144396
C 2.842185 -2.660824 3.224261
C 1.895899 -1.741746 4.022611
H -1.860472 0.477717 1.783128
H -0.037631 0.090023 0.269344
H -2.564289 3.074531 0.997663
H 0.924760 2.991059 0.283842
H 0.673091 2.653247 -2.278638
H 0.359950 0.898429 -1.934503
H -0.140603 2.009736 2.985323
H 1.927579 0.647886 1.468829
H -4.811080 2.834491 0.062901
H -1.255283 -2.091081 -2.367946
H -5.606034 -2.087128 -3.736975
H -6.383840 -0.693875 -2.965176
H 2.280944 -1.850492 -1.473637
H 4.652189 -1.472154 3.040600
H 3.332842 -3.382924 3.901325
H 2.278185 -3.249174 2.477823
H 2.443827 -1.177130 4.795686
H 1.367201 -1.023133 3.375235
H 5.610832 -0.722373 -0.326860
H -0.111644 -3.165629 3.904580


