%chk=000274556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274556

0 1
S 1.366918 1.309176 1.427596
O -4.158763 -0.885519 1.217052
O 1.663411 2.596749 0.860625
O 1.547721 1.101422 2.854588
O -0.380243 0.972844 -0.996827
N -2.435053 1.032128 0.081537
N -0.356056 1.022030 1.287847
C -3.751315 -0.742589 -1.099174
C -3.165120 0.675722 -1.163707
C 2.120887 0.046920 0.555949
C -4.859767 -0.881822 -0.057442
C 2.235095 0.108058 -0.838706
C 2.654247 -1.049581 1.249837
C -1.026484 0.984112 0.045223
C 3.411951 -2.014196 -0.842475
C 2.878827 -0.916264 -1.535581
C 3.295839 -2.074185 0.560043
C 4.113419 -3.104008 -1.581486
C -5.035460 -0.939780 2.356330
H -2.943078 -1.471470 -0.869495
H -4.140597 -1.030291 -2.095475
H -3.970053 1.433806 -1.297710
H -2.480881 0.772343 -2.042212
H -5.404582 -1.836452 -0.158935
H -5.572620 -0.040108 -0.075399
H -2.922561 0.724082 0.938206
H -0.910641 1.019232 2.154335
H 1.806273 0.958580 -1.390349
H 2.570705 -1.096514 2.342862
H 2.961104 -0.859275 -2.619397
H 3.709843 -2.919939 1.104610
H 4.002570 -4.082441 -1.093877
H 3.749779 -3.216267 -2.612501
H 5.193617 -2.896205 -1.643546
H -5.668660 -0.048803 2.399356
H -5.637555 -1.853085 2.336215
H -4.335517 -0.962012 3.201186


%chk=000274556-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274556

0 1
S 1.202705 0.801768 1.496684
O -4.841611 -0.433902 1.425510
O 1.270430 2.340654 1.005668
O 1.411509 0.418621 3.066997
O -0.499747 0.499921 -1.100881
N -2.493874 0.019979 0.032386
N -0.471234 0.099829 1.208914
C -4.585812 -0.849308 -0.971773
C -3.325012 0.014365 -1.183078
C 2.371059 -0.256272 0.464206
C -5.528626 -0.324944 0.120525
C 2.536048 0.035367 -0.897854
C 3.069610 -1.266029 1.143689
C -1.135534 0.239239 -0.032541
C 4.206731 -1.782749 -0.983539
C 3.467771 -0.746606 -1.614997
C 3.992655 -2.031813 0.398172
C 5.227080 -2.590262 -1.764952
C -5.668731 0.039774 2.537095
H -4.293370 -1.887563 -0.727049
H -5.153582 -0.881299 -1.921812
H -3.618320 1.050450 -1.456175
H -2.715568 -0.373289 -2.018259
H -6.463082 -0.925165 0.152284
H -5.798823 0.738625 -0.065818
H -3.010313 -0.101033 0.914977
H -0.946953 -0.088114 2.099477
H 1.940471 0.817168 -1.375632
H 2.903978 -1.430871 2.213112
H 3.616175 -0.550412 -2.682881
H 4.554762 -2.828920 0.898131
H 5.324404 -3.615786 -1.368192
H 4.958217 -2.658370 -2.833248
H 6.227479 -2.119073 -1.707008
H -5.925273 1.113140 2.420932
H -6.604332 -0.551241 2.612798
H -5.074085 -0.099482 3.453236


