%chk=000285072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285072

0 1
S 2.285298 1.333290 1.088312
O 2.002432 1.075598 2.477316
O 2.947079 2.572652 0.721559
N -0.006888 0.368981 0.311818
N 0.781722 1.474299 0.212532
C -2.648311 -1.404703 -1.226791
C -3.101258 2.040439 0.252688
C -1.993188 -0.923122 0.039863
C -2.011203 1.515159 -0.640184
C -3.079413 -2.875523 -1.130956
C -3.590016 3.428942 -0.184100
C -3.770734 -3.159411 0.208911
C -3.786979 3.489521 -1.704310
C -1.250785 0.361175 -0.085718
C -2.828073 -2.857295 1.384339
C -2.472713 3.184871 -2.440240
C -2.082729 -1.568369 1.212550
C -1.736750 2.019206 -1.851741
C 3.089812 -0.001035 0.372574
C 4.184559 0.221551 -0.473233
C 2.665899 -1.309609 0.632767
C 4.433969 -2.170516 -0.789215
C 4.856480 -0.853899 -1.050438
C 3.334330 -2.390960 0.057020
C 5.160335 -3.324905 -1.393886
H -3.527556 -0.761284 -1.441942
H -1.959641 -1.269833 -2.085075
H -3.944352 1.316851 0.245648
H -2.750104 2.077430 1.304244
H -3.752980 -3.126272 -1.970427
H -2.192491 -3.529876 -1.238045
H -4.534585 3.676010 0.334409
H -2.857036 4.197897 0.128467
H -4.105694 -4.211448 0.251846
H -4.683808 -2.539509 0.295956
H -4.165900 4.484235 -2.001565
H -4.561384 2.759207 -2.008734
H -2.089447 -3.679569 1.497228
H -3.404503 -2.836761 2.331020
H -1.808650 4.075380 -2.410703
H -2.679597 2.998802 -3.513349
H -1.594039 -1.189899 2.110805
H -0.944823 1.607234 -2.476665
H 0.394405 2.387303 -0.073775
H 4.516647 1.246974 -0.679047
H 1.804319 -1.489655 1.287292
H 5.708584 -0.674219 -1.702707
H 2.999566 -3.405273 0.264981
H 5.620411 -3.074776 -2.359965
H 5.971824 -3.662671 -0.729623
H 4.505857 -4.190913 -1.565611


%chk=000285072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285072

0 1
S 2.046850 0.839797 1.124451
O 1.448868 0.088056 2.446075
O 2.683355 2.344660 1.181601
N -0.307315 0.010283 -0.137445
N 0.619894 0.982031 -0.336182
C -3.732199 -1.283982 -0.795090
C -3.503254 1.966209 -0.277113
C -2.488755 -0.977095 0.040196
C -2.198722 1.442045 -0.882157
C -4.150071 -2.767556 -0.665938
C -3.665808 3.489435 -0.490345
C -4.253018 -3.169143 0.823211
C -3.447563 3.849602 -1.976553
C -1.624969 0.178795 -0.333616
C -2.882986 -3.012856 1.526339
C -2.013235 3.477809 -2.421169
C -2.126050 -1.778131 1.090240
C -1.535793 2.160280 -1.847896
C 3.303257 -0.306699 0.332893
C 4.304458 0.260461 -0.470680
C 3.199873 -1.684430 0.583300
C 5.194165 -2.012315 -0.832850
C 5.252687 -0.610400 -1.051364
C 4.158811 -2.532927 -0.011175
C 6.235433 -2.936052 -1.438338
H -4.583373 -0.650480 -0.471103
H -3.542167 -1.028359 -1.855873
H -4.366722 1.448352 -0.740550
H -3.536969 1.717425 0.800724
H -5.116974 -2.932247 -1.178913
H -3.399062 -3.409331 -1.168347
H -4.672484 3.806410 -0.158235
H -2.930421 4.035054 0.133849
H -4.614990 -4.209674 0.924509
H -5.000342 -2.518217 1.319593
H -3.629670 4.926512 -2.150223
H -4.182375 3.294221 -2.592754
H -2.246289 -3.900856 1.317976
H -3.011924 -2.999959 2.627594
H -1.301960 4.275444 -2.115648
H -1.949136 3.440015 -3.527284
H -1.206734 -1.527879 1.637796
H -0.615224 1.745696 -2.284392
H 0.290834 1.981257 -0.226334
H 4.347007 1.344294 -0.618335
H 2.406270 -2.071210 1.229865
H 6.047604 -0.194776 -1.681220
H 4.101462 -3.613379 0.165280
H 6.722167 -2.479899 -2.317376
H 7.030374 -3.167417 -0.703174
H 5.791082 -3.897174 -1.751722


