%chk=000218177.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218177

0 1
S -2.437474 0.041740 -2.056342
P -1.819340 -1.090282 -0.438587
O -0.498877 -1.920768 -0.957061
O -2.874069 -2.348829 -0.516924
O -1.662271 -0.357851 0.835888
N 0.157183 1.924613 -1.344014
N -1.164609 2.330549 0.687475
C 2.235081 1.005366 -0.176206
C 1.639982 0.540689 1.164490
C 2.336776 -0.127687 -1.210455
C 2.623805 -0.324456 1.963742
C 3.236834 -1.284693 -0.758439
C 2.523132 -1.828480 1.681095
C 2.532047 -2.247687 0.203731
C 1.473251 2.222588 -0.761730
C -0.957462 1.968731 -0.679463
C -2.234191 1.761745 -1.460611
H 3.277585 1.370897 0.026402
H 1.369988 1.427731 1.772982
H 0.689523 -0.006408 1.016835
H 1.319506 -0.507994 -1.467047
H 2.716773 0.287470 -2.166388
H 2.447658 -0.162485 3.046897
H 3.661539 0.017960 1.780565
H 4.162641 -0.893530 -0.294620
H 3.570970 -1.848784 -1.652560
H 3.360712 -2.333263 2.204209
H 1.599220 -2.222879 2.152013
H 1.481573 -2.403410 -0.138520
H 3.003863 -3.248005 0.124206
H 2.067831 2.630594 -1.618340
H 1.440638 3.038278 -0.006199
H -3.135337 2.067648 -0.890069
H -2.216390 2.386964 -2.385324
H -0.343114 2.233511 1.280511
H -1.948518 1.855578 1.141235
H 0.440242 -1.491042 -0.834920
H -2.465598 -3.247618 -0.693760


%chk=000218177-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218177

0 1
S -2.191153 -0.887205 -1.686281
P -3.392240 -0.595090 0.219780
O -2.314377 -0.806052 1.555884
O -4.254095 -2.061706 0.382248
O -4.207145 0.778217 0.243621
N 0.402746 1.669281 -1.270806
N -1.403102 1.811758 0.377607
C 2.425045 1.027693 0.070842
C 1.683113 -0.055559 0.904093
C 3.186565 0.492819 -1.170029
C 2.633283 -1.006012 1.677170
C 4.165420 -0.683950 -0.928577
C 3.120291 -2.255226 0.893414
C 3.454499 -2.024156 -0.605130
C 1.447367 2.168301 -0.355627
C -0.843487 1.539248 -0.902883
C -1.829440 0.988407 -1.915857
H 3.168008 1.503242 0.749997
H 1.042684 0.472524 1.643356
H 1.001568 -0.636343 0.251555
H 2.441401 0.189444 -1.930936
H 3.748557 1.342889 -1.610729
H 2.131751 -1.358485 2.600433
H 3.509136 -0.415836 2.017470
H 4.889267 -0.430506 -0.126427
H 4.763392 -0.813204 -1.852670
H 4.015954 -2.655827 1.410105
H 2.348199 -3.048249 0.957008
H 2.523688 -2.068966 -1.205573
H 4.078820 -2.871970 -0.950922
H 2.024817 2.930949 -0.913364
H 1.065069 2.662625 0.571612
H -2.807541 1.495692 -1.892447
H -1.381103 1.040782 -2.917868
H -0.831695 2.350378 1.032497
H -2.418729 1.981192 0.418657
H -1.630171 -0.072558 1.556717
H -4.155255 -2.482040 1.276758


