%chk=000188764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188764

0 1
S 3.660093 0.705574 0.429504
O 2.305135 0.485684 -0.574835
O -3.295457 -1.511239 0.188926
O 4.388347 1.614714 -0.751286
O 3.322771 1.540534 1.521314
O 4.326118 -0.542025 0.566282
N -3.987256 1.127591 -0.122800
N -5.065537 1.446802 -0.089271
C 0.010751 -0.061947 -0.239187
C -0.968007 -1.052950 -0.028696
C 1.363491 -0.485640 -0.274145
C -0.367208 1.330974 -0.412107
C -0.602471 -2.400704 0.145367
C -2.409417 -0.692822 0.016916
C 1.737156 -1.818106 -0.105984
C 0.737383 -2.777312 0.108995
C -2.721204 0.743807 -0.161727
C -1.660218 1.713371 -0.372926
H 0.441991 2.046242 -0.571042
H -1.390513 -3.143605 0.309740
H 2.791020 -2.115317 -0.136344
H 1.017995 -3.822481 0.245302
H -1.949687 2.757647 -0.497372
H 3.989624 1.549707 -1.646322


%chk=000188764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188764

0 1
S 3.604747 1.170782 0.650841
O 2.273819 0.370192 -0.980148
O -3.366007 -1.555807 0.382720
O 4.884015 1.310052 -0.672578
O 3.498804 2.645153 1.309268
O 3.930108 -0.094201 1.616761
N -3.995399 1.117390 0.158126
N -5.147679 1.215333 0.358157
C -0.037460 -0.092181 -0.416900
C -1.022505 -1.084025 -0.094669
C 1.344639 -0.520210 -0.610890
C -0.388613 1.295005 -0.537435
C -0.647376 -2.443436 0.048173
C -2.448855 -0.719993 0.110424
C 1.691370 -1.900176 -0.422487
C 0.702165 -2.846863 -0.111737
C -2.716583 0.753409 -0.032327
C -1.696865 1.715631 -0.345508
H 0.397608 2.011925 -0.786296
H -1.428698 -3.169223 0.296290
H 2.741684 -2.186196 -0.533774
H 0.972300 -3.899422 0.016608
H -1.967111 2.772883 -0.427642
H 4.496792 0.772477 -1.426674


