%chk=000289412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289412

0 1
S 3.673078 -0.320290 0.370114
O 1.858642 -0.502358 -0.145590
O 4.141744 1.243808 0.261203
O -5.961589 1.089923 1.742582
O -5.658346 0.101937 -0.355178
N 0.898211 -0.106432 3.270183
N 0.373605 -0.056633 2.107926
N 4.095190 -4.365901 -3.030178
C 4.329346 -1.109720 -1.211608
C -1.045195 0.089513 1.840215
C 3.922805 -2.438044 -1.515718
C 5.274012 -0.408933 -1.950453
C 4.498346 -3.077144 -2.655934
C -1.480372 -0.319722 0.545861
C -1.938697 0.678788 2.763035
C -3.754414 0.365895 1.150328
C 5.868115 -1.057119 -3.057454
C 5.497563 -2.378524 -3.402206
C -2.846801 -0.202220 0.221283
C -3.294815 0.813412 2.419778
C -5.191598 0.492187 0.743927
C -7.412501 1.297920 1.429710
C -7.618639 2.622741 0.691457
H 0.159264 -0.049482 4.042470
H 3.144936 -2.937555 -0.923392
H 1.418151 -0.367792 0.714978
H 5.589705 0.626023 -1.605396
H -0.756570 -0.734441 -0.159398
H -1.584201 1.049003 3.732875
H 6.628956 -0.531111 -3.649745
H -3.222796 -0.523995 -0.755273
H -4.007035 1.272356 3.112159
H 5.960455 -2.865124 -4.270649
H 4.495012 -4.800830 -3.857040
H 3.379914 -4.857061 -2.505645
H -7.766485 0.440191 0.830025
H -7.892844 1.293907 2.421058
H -8.700896 2.799628 0.542855
H -7.210687 3.467441 1.273622
H -7.135369 2.600556 -0.298689


%chk=000289412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289412

0 1
S 3.000488 -0.060170 -0.095785
O 2.186503 -1.468036 0.777581
O 1.845584 0.871609 -0.830714
O -5.704410 0.936848 1.217133
O -4.735546 1.708076 -0.763433
N 0.755231 -0.379778 3.830866
N 0.457495 -0.389443 2.577894
N 5.702796 -4.210877 -1.966864
C 3.637622 -1.161952 -1.491151
C -0.845092 0.002238 2.074551
C 4.422887 -2.279553 -1.172896
C 3.320268 -0.773536 -2.802962
C 4.931448 -3.080440 -2.236759
C -0.890599 0.539306 0.761670
C -2.031598 -0.184644 2.837569
C -3.324511 0.771575 0.994341
C 3.834429 -1.573588 -3.850986
C 4.630143 -2.704319 -3.580721
C -2.135429 0.939214 0.238660
C -3.268960 0.197519 2.293303
C -4.619630 1.192790 0.375517
C -7.052260 1.333034 0.701004
C -7.339288 2.805948 1.004388
H -0.044213 -0.003243 4.433927
H 4.603721 -2.557672 -0.128753
H 1.596067 -1.052876 1.526401
H 2.679432 0.096462 -2.978062
H 0.033308 0.663222 0.177121
H -1.996715 -0.665279 3.823235
H 3.610001 -1.311404 -4.890906
H -2.204239 1.374190 -0.763172
H -4.198022 0.044584 2.848048
H 5.018550 -3.309352 -4.409274
H 6.045839 -4.798651 -2.720535
H 5.892499 -4.495691 -1.010682
H -7.082063 1.132972 -0.384359
H -7.739783 0.656766 1.233543
H -8.371656 3.053041 0.694536
H -7.244844 3.013110 2.084304
H -6.648254 3.462797 0.450518


