%chk=000257492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257492

0 1
S 0.000654 -1.826801 -0.193693
O 0.002060 -2.480690 -1.497769
O -0.001317 -2.639532 1.015934
O 4.691104 1.711652 0.172926
O -4.687048 1.716653 0.159432
N 3.465044 0.946345 2.449692
N -3.462137 0.958539 2.439187
C 1.374330 -0.764238 -0.132400
C -1.372139 -0.762871 -0.136270
C 1.892233 -0.390810 1.116040
C -1.890013 -0.384581 1.110700
C 1.959780 -0.315279 -1.310151
C -1.956981 -0.317636 -1.315755
C 3.002275 0.454810 1.194674
C -2.999440 0.462163 1.186056
C 3.589672 0.910935 -0.030375
C -3.586214 0.914344 -0.040737
C 3.075807 0.533906 -1.268766
C -3.072349 0.532537 -1.277654
C 5.385077 2.217057 -0.994466
C -5.380871 2.217564 -1.009969
H 1.433750 -0.771158 2.034817
H -1.432095 -0.761956 2.030950
H 1.566047 -0.632797 -2.281601
H -1.563218 -0.638961 -2.285971
H 3.524032 0.876253 -2.196225
H -3.520100 0.871943 -2.206421
H 4.391263 1.362163 2.406947
H 3.417555 0.265698 3.199048
H -4.388130 1.374686 2.394779
H -3.415090 0.280646 3.191059
H 5.786590 1.389171 -1.585948
H 6.191781 2.804179 -0.535674
H 4.720245 2.857417 -1.581787
H -5.782329 1.387457 -1.598362
H -4.715905 2.855647 -1.599615
H -6.187624 2.806447 -0.553531


%chk=000257492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257492

0 1
S 0.000681 -1.835718 -0.112699
O 0.002077 -2.587697 -1.569087
O -0.001338 -2.648462 1.314568
O 4.911896 1.699569 0.150307
O -4.908182 1.703728 0.137774
N 3.887275 0.723179 2.401512
N -3.888249 0.729160 2.391937
C 1.511991 -0.701577 -0.081770
C -1.509762 -0.700356 -0.085542
C 2.085533 -0.426420 1.169313
C -2.085269 -0.423289 1.164219
C 2.018801 -0.240818 -1.302287
C -2.014103 -0.240660 -1.307478
C 3.240047 0.393429 1.219028
C -3.239222 0.397528 1.210967
C 3.765512 0.898795 -0.019453
C -3.762141 0.901839 -0.029023
C 3.171687 0.582459 -1.256021
C -3.166437 0.583550 -1.264182
C 5.546534 2.238400 -1.053278
C -5.540203 2.241681 -1.067578
H 1.659955 -0.871974 2.075392
H -1.661686 -0.868121 2.071584
H 1.559595 -0.538655 -2.248906
H -1.553468 -0.540056 -2.252910
H 3.597212 0.959669 -2.190413
H -3.590075 0.959945 -2.199760
H 4.723192 1.299876 2.358398
H 3.567117 0.360036 3.293356
H -4.723667 1.306419 2.346701
H -3.569916 0.366820 3.284760
H 5.891901 1.424610 -1.719577
H 6.410170 2.816775 -0.693706
H 4.854091 2.903293 -1.604713
H -5.885171 1.427397 -1.733480
H -4.846159 2.905232 -1.618621
H -6.403919 2.821315 -0.710232


