%chk=000257069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257069

0 1
S 0.041596 0.918361 -1.505295
O 2.504947 1.299771 0.319627
O -0.992827 -0.569095 1.945355
N 1.026141 -0.393246 0.999164
C -1.073969 -0.018073 -0.401991
C 2.063810 -0.022852 0.007210
C -1.456657 -1.335314 -1.096816
C -2.281355 0.902240 -0.175665
C 1.536288 -0.081145 -1.427611
C -0.373915 -0.320566 0.921982
C 3.313173 -0.881476 0.210049
C -2.473091 -2.160829 -0.312379
C -1.944064 2.232453 0.488984
H -0.547109 -1.948693 -1.266737
H -1.863829 -1.115405 -2.106696
H -3.009803 0.357413 0.470768
H -2.805144 1.077572 -1.137547
H 2.275366 0.359720 -2.129926
H 1.364967 -1.119460 -1.765894
H 1.387668 -0.575418 1.947122
H 3.787892 -0.666322 1.179223
H 3.089821 -1.952838 0.169023
H 4.071847 -0.654451 -0.550613
H -2.196393 -2.251438 0.750196
H -3.473869 -1.714641 -0.340491
H -2.554981 -3.175531 -0.717217
H -1.437687 2.086593 1.452953
H -1.305533 2.871004 -0.131880
H -2.859235 2.801628 0.696881
H 1.796243 1.973439 0.213122


%chk=000257069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257069

0 1
S 0.071519 0.949663 -1.651606
O 2.522011 1.370214 0.301552
O -1.023721 -0.564708 1.959775
N 1.045030 -0.437847 0.968985
C -1.071741 -0.002382 -0.407620
C 2.103731 -0.012221 0.021931
C -1.511890 -1.332591 -1.108124
C -2.289093 0.921920 -0.136440
C 1.596749 -0.128159 -1.426233
C -0.340761 -0.324124 0.914684
C 3.361405 -0.859429 0.263644
C -2.498693 -2.214969 -0.308872
C -1.965289 2.285115 0.509404
H -0.611081 -1.930989 -1.345879
H -1.965555 -1.047092 -2.076388
H -2.965089 0.365524 0.536467
H -2.822940 1.068395 -1.096675
H 2.356682 0.276003 -2.112939
H 1.367332 -1.170332 -1.699494
H 1.378198 -0.639139 1.919391
H 3.717321 -0.710170 1.298553
H 3.154017 -1.930735 0.102736
H 4.164627 -0.533390 -0.416592
H -2.105851 -2.467768 0.690110
H -3.472678 -1.714873 -0.168127
H -2.682190 -3.154623 -0.861681
H -1.472227 2.147014 1.487844
H -1.309341 2.900883 -0.130912
H -2.898612 2.850708 0.682927
H 1.778430 1.963502 -0.005521


