%chk=000182784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182784

0 1
S 0.515305 -1.285213 -2.207691
O 4.091479 -0.238856 0.516811
O 3.019887 -2.739771 2.458180
O 1.435199 -1.312470 -0.767112
O 1.606008 2.351116 2.706568
O 0.338475 -2.670025 -2.559900
O 1.268964 -0.427431 -3.097847
O 0.076289 4.112387 -1.214040
N 2.606684 1.593987 0.755695
N 0.876522 3.268307 0.727043
N -4.969771 -0.233965 1.097211
C 2.510314 -1.645114 1.682941
C 3.467790 -1.559314 0.471618
C 2.681637 -0.317599 2.439618
C 3.473623 0.595871 1.499156
C 2.796929 -1.749376 -0.891408
C 2.704188 1.702165 -0.643228
C 1.689249 2.401094 1.490780
C 1.921749 2.552225 -1.359961
C -0.878025 -0.501934 -1.615053
C 0.902949 3.378972 -0.710286
C -1.869257 -1.179912 -0.835607
C -2.936233 -0.413136 -0.278570
C 2.060946 2.671173 -2.839237
C -1.001597 0.852661 -1.877257
C -3.918283 -1.075710 0.552029
C -1.840397 -2.591008 -0.607379
C -3.030541 0.978446 -0.577942
C -2.083394 1.599023 -1.362223
C -3.850336 -2.439660 0.752538
C -2.809860 -3.196002 0.151881
C -4.534072 0.432550 2.362653
C -6.275183 -0.932173 1.274726
H 1.457292 -1.851274 1.393676
H 4.335361 -2.254514 0.590775
H 1.715573 0.118096 2.761612
H 3.249803 -0.481359 3.379012
H 4.312306 1.160572 1.970976
H 2.792824 -2.820525 -1.181230
H 3.308771 -1.144089 -1.668887
H 2.378571 -3.005630 3.145998
H 3.457717 1.053185 -1.121569
H 0.211728 3.858101 1.247326
H 1.302274 3.341558 -3.271992
H 1.951573 1.685585 -3.333968
H 3.042394 3.074120 -3.123689
H -0.255195 1.376722 -2.495072
H -1.057502 -3.207080 -1.067756
H -3.880445 1.548350 -0.183881
H -2.143553 2.667669 -1.587593
H -4.579578 -2.959194 1.369917
H -2.791642 -4.275904 0.312304
H -4.443545 -0.249098 3.222343
H -5.266211 1.217449 2.615489
H -3.558867 0.924412 2.213904
H -6.552434 -1.436734 0.333798
H -7.047368 -0.169008 1.473366
H -6.303584 -1.670020 2.090033


%chk=000182784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182784

0 1
S 0.589615 -1.740916 -2.924646
O 3.726092 -0.428826 0.590054
O 1.050740 -2.671811 1.722640
O 1.803228 -0.992333 -1.660953
O 2.943099 2.581279 3.331581
O 0.664281 -3.355661 -2.748506
O 0.919472 -1.068153 -4.353404
O 1.087542 5.260147 -0.030873
N 2.648500 1.650262 1.191056
N 2.044478 3.890394 1.601299
N -4.421243 -0.335077 1.254651
C 1.612753 -1.415317 1.237559
C 2.905121 -1.666939 0.420651
C 2.129734 -0.529918 2.391019
C 3.203499 0.349782 1.714052
C 2.744286 -1.965390 -1.070639
C 2.222503 1.799132 -0.129630
C 2.574786 2.704404 2.126778
C 1.693423 2.972480 -0.621823
C -0.986051 -0.960835 -2.224713
C 1.567136 4.127579 0.275181
C -1.660303 -1.514651 -1.084052
C -2.756578 -0.709689 -0.556800
C 1.240955 3.126069 -2.053467
C -1.366065 0.197782 -2.894245
C -3.452627 -1.157471 0.646823
C -1.375031 -2.796915 -0.506851
C -3.177940 0.452714 -1.278227
C -2.516525 0.893579 -2.427490
C -3.173305 -2.449599 1.144161
C -2.162809 -3.255816 0.557698
C -4.121159 1.074005 1.603069
C -5.430537 -0.949517 2.132903
H 0.882350 -0.863743 0.615838
H 3.451781 -2.512661 0.886225
H 1.347064 0.066755 2.882635
H 2.603593 -1.179383 3.148412
H 4.026071 0.621312 2.392888
H 2.348924 -2.994240 -1.200409
H 3.718251 -1.882725 -1.585740
H 0.159025 -2.810511 1.309268
H 2.346532 0.916640 -0.763346
H 1.985031 4.677279 2.255473
H 0.166753 3.385343 -2.100775
H 1.411981 2.198083 -2.625270
H 1.782581 3.952475 -2.548326
H -0.806700 0.541854 -3.770148
H -0.616248 -3.440865 -0.959822
H -4.075205 0.978867 -0.942988
H -2.874782 1.770605 -2.974002
H -3.707853 -2.826253 2.020004
H -1.983502 -4.256963 0.966983
H -3.985982 1.173957 2.700650
H -4.943490 1.747970 1.296523
H -3.191633 1.409343 1.120944
H -5.826144 -1.871950 1.676529
H -6.269126 -0.242290 2.257449
H -5.036844 -1.190975 3.145747


