%chk=000299296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299296

0 1
S 0.464678 2.447672 -0.173142
O -2.254499 -1.675431 0.118051
O -0.043736 -2.120857 0.104447
O 2.745172 2.074976 -0.167997
N 1.736826 0.058695 -0.028265
C -1.788136 1.179157 -0.076650
C -0.765106 0.150176 -0.017731
C 0.504355 0.701825 -0.061377
C -3.232107 0.874381 -0.047541
C -1.280651 2.440518 -0.161580
C -0.947513 -1.292183 0.071603
C -3.927999 0.663114 -1.247628
C -3.910430 0.811382 1.179266
C 2.903995 0.860442 -0.101093
C 4.207470 0.151289 -0.067767
C -5.297679 0.387783 -1.216381
C -5.280186 0.535595 1.201513
C -5.974696 0.324216 0.005925
C -2.522132 -3.121720 0.207996
C 5.250925 0.727892 0.673683
C 4.416080 -1.041936 -0.774788
C 6.496604 0.097724 0.721145
C 5.666466 -1.663252 -0.725781
C 6.703835 -1.097141 0.023696
C -4.033440 -3.186716 0.240347
H -1.831691 3.362800 -0.218151
H 1.742881 -0.974157 0.065363
H -3.397472 0.707881 -2.197225
H -3.366129 0.970523 2.108592
H -5.838040 0.223852 -2.146716
H -5.806943 0.486638 2.152574
H -7.041393 0.112093 0.026614
H -2.073113 -3.601667 -0.677689
H -2.038848 -3.496020 1.126059
H 5.084351 1.668637 1.204125
H 3.615325 -1.482543 -1.370663
H 7.307366 0.540680 1.299171
H 5.832802 -2.590550 -1.273772
H 7.677195 -1.587291 0.061443
H -4.389203 -4.220538 0.302478
H -4.438290 -2.628976 1.097602
H -4.471496 -2.722763 -0.655755


%chk=000299296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299296

0 1
S 0.281839 2.796010 -0.453419
O -2.023548 -1.685328 -0.040618
O 0.270826 -1.797610 0.283119
O 3.035642 2.271540 -0.333597
N 1.688524 0.409042 -0.007434
C -1.920140 1.273561 -0.201736
C -0.781971 0.368455 -0.034881
C 0.462858 1.039509 -0.123735
C -3.371606 0.948773 -0.084530
C -1.511051 2.573792 -0.440145
C -0.783785 -1.093850 0.094483
C -4.267155 1.324121 -1.119848
C -3.899636 0.343148 1.086413
C 2.941437 1.021354 -0.117695
C 4.135749 0.127549 0.034875
C -5.655487 1.091492 -0.994049
C -5.285230 0.113536 1.214671
C -6.170309 0.484619 0.173780
C -2.063548 -3.179475 0.051308
C 5.412329 0.743808 -0.044796
C 4.053604 -1.275929 0.247694
C 6.586623 -0.023332 0.087269
C 5.231931 -2.041237 0.379497
C 6.500139 -1.419646 0.300519
C -3.515447 -3.587170 -0.173909
H -2.142094 3.454009 -0.551543
H 1.571655 -0.611550 0.175782
H -3.867086 1.783418 -2.031078
H -3.220730 0.060802 1.898125
H -6.331261 1.381662 -1.806460
H -5.677463 -0.345411 2.129487
H -7.246738 0.305719 0.274760
H -1.380114 -3.591716 -0.712623
H -1.685577 -3.474395 1.047001
H 5.451103 1.825264 -0.211248
H 3.090071 -1.794788 0.311426
H 7.566049 0.462926 0.024487
H 5.160225 -3.121917 0.542778
H 7.411797 -2.018573 0.403398
H -3.606445 -4.687050 -0.111164
H -4.175149 -3.135789 0.586194
H -3.865431 -3.263145 -1.168555


