%chk=000237173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237173

0 1
S 0.554096 3.877322 -0.024823
S -1.184617 2.858565 -2.064412
N 1.690299 1.753354 1.160556
N -0.381583 1.339034 -0.015696
C 0.323061 1.169166 1.292824
C 2.689568 1.135572 2.092337
C 2.912798 -0.351533 1.771011
C -1.061458 0.132623 -0.569664
C -2.460557 -0.030271 0.042877
C 3.488761 -0.562007 0.365231
C 1.650021 3.225915 1.289789
C -3.131973 -1.308182 -0.474627
C 3.698633 -2.049912 0.059663
C -4.530454 -1.484938 0.131819
C -0.359866 2.512212 -0.676083
C 4.256371 -2.254901 -1.356124
C -5.207826 -2.762650 -0.383530
C 4.467128 -3.733672 -1.672576
C -6.600056 -2.943693 0.216831
H -0.299449 1.644830 2.091598
H 0.402166 0.076364 1.524587
H 3.650077 1.685110 1.956083
H 2.403461 1.250239 3.160414
H 1.962640 -0.913643 1.874546
H 3.599732 -0.777531 2.529278
H -0.426823 -0.759068 -0.371904
H -1.137195 0.221139 -1.683023
H -3.082121 0.854285 -0.214248
H -2.404668 -0.047052 1.146857
H 2.809724 -0.105723 -0.385659
H 4.444541 -0.013438 0.261943
H 2.665700 3.641460 1.099735
H 1.296303 3.609498 2.269016
H -2.506602 -2.191091 -0.241589
H -3.206843 -1.271199 -1.580198
H 4.388131 -2.497315 0.800938
H 2.744087 -2.599253 0.166809
H -5.159386 -0.605342 -0.109076
H -4.465917 -1.513814 1.236158
H 5.213732 -1.708662 -1.466615
H 3.568173 -1.807104 -2.100287
H -5.279829 -2.730341 -1.488735
H -4.581231 -3.644563 -0.146934
H 5.175319 -4.199263 -0.978018
H 3.529703 -4.297895 -1.613217
H 4.865542 -3.867666 -2.684887
H -6.563673 -3.017687 1.309462
H -7.259261 -2.104006 -0.032547
H -7.077279 -3.856075 -0.158293


%chk=000237173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237173

0 1
S 1.427946 2.455045 -1.042815
S 0.090805 0.123620 -2.390203
N 1.441198 1.834990 1.765554
N -0.113713 0.566320 0.307863
C 0.078716 1.389216 1.560539
C 2.429377 0.898538 2.361678
C 2.760985 -0.417063 1.606962
C -0.960531 -0.650236 0.426308
C -2.467238 -0.359362 0.243524
C 3.635186 -0.257558 0.343430
C 1.826320 2.883910 0.872823
C -3.310872 -1.652260 0.297174
C 3.855130 -1.594488 -0.399494
C -4.823869 -1.391178 0.120932
C 0.374459 0.951456 -0.917280
C 4.712079 -1.443088 -1.677026
C -5.671593 -2.683376 0.151618
C 4.928797 -2.780316 -2.417300
C -7.182324 -2.417004 -0.023329
H -0.581247 2.277774 1.500739
H -0.249746 0.757595 2.402771
H 3.361271 1.474147 2.521654
H 2.042642 0.639408 3.368806
H 1.821554 -0.940914 1.342514
H 3.286683 -1.077634 2.328928
H -0.771487 -1.096640 1.423323
H -0.629647 -1.364350 -0.348917
H -2.608001 0.137013 -0.735254
H -2.815578 0.346544 1.025362
H 3.166752 0.462236 -0.354894
H 4.619211 0.170989 0.631173
H 2.908110 3.076115 0.903618
H 1.249898 3.808138 1.040633
H -3.140557 -2.174045 1.263010
H -2.965457 -2.343686 -0.498833
H 4.334447 -2.329497 0.282263
H 2.867118 -2.017312 -0.677358
H -4.993915 -0.864718 -0.840906
H -5.176073 -0.703953 0.918703
H 5.694860 -1.003046 -1.408981
H 4.217838 -0.719272 -2.355377
H -5.320950 -3.366908 -0.648319
H -5.496690 -3.212216 1.111133
H 5.444384 -3.515524 -1.770124
H 3.961764 -3.221565 -2.723841
H 5.540525 -2.643755 -3.328059
H -7.565301 -1.759130 0.779727
H -7.387442 -1.919438 -0.989881
H -7.764723 -3.356325 0.003030


