%chk=000299452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299452

0 1
S 3.855909 -0.889089 -1.655751
O 3.213309 -2.393819 -1.024501
O 5.212773 -1.287846 -1.921903
O 3.027357 -0.354954 -2.696735
N 1.052794 -1.823890 -1.004046
N 1.965158 -2.693540 -1.589966
C -3.025862 -0.165089 0.698849
C -2.941700 1.142297 0.058606
C -2.123665 -1.191693 0.327195
C -1.952109 1.369085 -0.926312
C -1.133006 -0.921235 -0.702022
C -1.047504 0.303925 -1.291140
C -3.996473 -0.437328 1.700649
C -3.823537 2.204730 0.394420
C -2.199581 -2.454288 0.973843
C -1.856921 2.640581 -1.553673
C -4.060767 -1.674123 2.311018
C -3.150816 -2.692424 1.946395
C -3.718060 3.434784 -0.224658
C -2.725501 3.656390 -1.207969
C -0.225105 -2.011853 -1.136755
C 3.795257 0.081254 -0.237704
C 4.944520 0.217349 0.552169
C 2.610957 0.728783 0.128360
C 4.909527 1.003883 1.705223
C 2.575529 1.516515 1.284182
C 3.723050 1.652510 2.070708
H -0.296908 0.505391 -2.061452
H -4.697204 0.349512 1.985975
H -4.591393 2.037841 1.151538
H -1.493679 -3.238136 0.703819
H -1.090787 2.800549 -2.312483
H -4.808111 -1.875343 3.077235
H -3.207552 -3.661122 2.440690
H -4.397626 4.244758 0.036775
H -2.657171 4.632086 -1.686880
H -0.727947 -2.888534 -1.571101
H 5.872994 -0.290193 0.263610
H 1.706004 0.619721 -0.482873
H 1.861191 -3.698803 -1.348398
H 5.802321 1.111449 2.319107
H 1.651370 2.017819 1.569800
H 3.695364 2.265192 2.972856


%chk=000299452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299452

0 1
S 4.657495 -1.445301 0.491781
O 2.546067 -0.241500 4.941076
O 4.520107 -3.077187 0.412909
O 3.086387 -0.694905 1.194565
N 0.735215 0.057414 3.592589
N 2.148570 -0.269729 3.745570
C -2.548902 0.510443 -0.082780
C -3.587512 0.848378 0.897196
C -1.202770 0.227993 0.360037
C -3.245189 0.896928 2.301023
C -0.899356 0.285720 1.795508
C -1.907462 0.613548 2.713179
C -2.831904 0.451177 -1.481877
C -4.937888 1.136354 0.535820
C -0.205466 -0.099014 -0.612088
C -4.243075 1.226465 3.276126
C -1.839212 0.130362 -2.415732
C -0.515808 -0.146306 -1.977223
C -5.900083 1.456236 1.505571
C -5.555844 1.503773 2.888591
C 0.437824 0.006415 2.284784
C 4.169309 -0.887123 -1.252644
C 3.927416 -1.897999 -2.197145
C 4.074808 0.483856 -1.556923
C 3.571844 -1.515790 -3.511423
C 3.720090 0.852848 -2.875983
C 3.470399 -0.144890 -3.849276
H -1.646504 0.647896 3.777361
H -3.842789 0.658500 -1.843758
H -5.244740 1.110878 -0.513350
H 0.821706 -0.320746 -0.307745
H -3.954724 1.255226 4.333035
H -2.083409 0.091761 -3.482664
H 0.266333 -0.398072 -2.701517
H -6.928698 1.671939 1.196383
H -6.316628 1.754592 3.634543
H 1.231693 -0.256036 1.560598
H 4.008855 -2.947371 -1.887767
H 4.252186 1.245596 -0.790769
H 3.101219 -0.664025 2.216318
H 3.378553 -2.284470 -4.267458
H 3.636510 1.912794 -3.138822
H 3.201781 0.146473 -4.870917


