%chk=000242592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242592

0 1
S -4.435113 0.094368 -1.046794
S 6.728840 0.636444 -0.691178
O -5.719693 -0.551751 -1.240007
O -3.897986 0.945938 -2.070001
O 7.032125 1.387187 -1.891610
O 7.144691 1.105373 0.615352
N -4.819446 1.080219 0.360222
N 0.421414 -1.591646 -0.176539
N -0.592343 -3.980948 0.807469
N 0.894107 -0.509820 -0.595608
N 7.489938 -0.894138 -0.896428
N -4.370662 2.726226 2.024083
N -2.564915 1.723532 0.694462
C -3.297554 -1.056101 -0.514342
C -1.929949 -0.801391 -0.591526
C -0.993297 -1.757676 -0.153065
C -3.754667 -2.290994 -0.002676
C -1.461300 -3.015239 0.366453
C -2.867207 -3.254558 0.427629
C 5.046085 0.260546 -0.653878
C 2.329544 -0.349674 -0.591433
C 4.312211 0.222225 -1.845824
C 4.418331 0.002810 0.569251
C 2.952261 -0.084117 -1.825314
C 3.058930 -0.309144 0.610315
C -3.900946 1.867797 1.038040
C -3.444446 3.478498 2.662225
C -1.676888 2.505210 1.358401
C -2.074020 3.405482 2.357014
H -1.562658 0.155653 -1.004152
H -4.836091 -2.486161 0.041914
H -3.235625 -4.201947 0.814457
H -5.809223 1.199397 0.642302
H 4.802825 0.444686 -2.801362
H 4.991888 0.051338 1.502991
H 2.372663 -0.106983 -2.748858
H 2.566794 -0.513096 1.559720
H -0.920593 -4.867284 1.148783
H 0.408301 -3.848893 0.756153
H 7.969348 -1.076093 -1.775539
H 8.056163 -1.253114 -0.130898
H -3.825664 4.156964 3.437423
H -0.624021 2.388883 1.066518
H -1.351252 4.027293 2.873250


%chk=000242592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242592

0 1
S -4.438963 -0.043190 -1.041506
S 6.915970 0.363352 -0.442250
O -5.871159 -0.798343 -1.201294
O -3.773448 0.767342 -2.270640
O 7.099479 1.966987 -0.657461
O 7.584428 -0.466657 0.789799
N -4.825310 1.098130 0.370799
N 0.466758 -1.790559 0.113537
N -0.531214 -4.097498 1.160934
N 0.919600 -0.674248 -0.406893
N 7.498115 -0.444637 -1.987353
N -4.559296 3.082506 1.574004
N -2.632328 1.961529 0.548371
C -3.208175 -1.264984 -0.331899
C -1.850087 -0.980519 -0.407110
C -0.937264 -1.942095 0.105029
C -3.733768 -2.460067 0.215754
C -1.428230 -3.177660 0.676355
C -2.839310 -3.412410 0.716828
C 5.068959 -0.003020 -0.435664
C 2.341534 -0.528157 -0.377113
C 4.208631 0.921194 -1.049299
C 4.631454 -1.170914 0.216184
C 2.827187 0.647353 -1.013318
C 3.250831 -1.433529 0.243780
C -3.968817 2.085791 0.834084
C -3.713736 4.022963 2.079982
C -1.825368 2.933530 1.057360
C -2.318716 3.999556 1.844099
H -1.476252 -0.044443 -0.829864
H -4.815347 -2.629436 0.221712
H -3.218405 -4.348035 1.141327
H -5.836401 1.231229 0.496433
H 4.605175 1.829345 -1.513355
H 5.355270 -1.830870 0.705196
H 2.100519 1.324646 -1.472209
H 2.859688 -2.323921 0.743008
H -0.835062 -4.975963 1.571412
H 0.461763 -3.872210 1.096724
H 7.873697 0.286184 -2.614028
H 8.194111 -1.164880 -1.732889
H -4.180745 4.813092 2.678075
H -0.758934 2.840218 0.824441
H -1.655936 4.768599 2.246311


