%chk=000279494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279494

0 1
S 1.919302 -0.927260 0.960377
O 2.627322 -0.427005 2.128560
O 1.876575 -2.349470 0.669488
N 0.328590 -0.345569 1.301098
N 2.783502 1.211103 -0.545773
N 3.116245 0.281253 -2.592494
N 2.373827 -1.999583 -2.121640
C 2.427608 -0.149250 -0.430129
C -0.824677 -0.509821 0.495531
C -2.011631 0.258830 0.820286
C -3.146160 0.134782 -0.023909
C 2.643159 -0.706944 -1.723898
C -0.824710 -1.365778 -0.592545
C -2.089203 1.130981 1.950217
C 3.180674 1.431594 -1.846207
C -3.103388 -0.735303 -1.156878
C 2.737599 2.176822 0.552862
C -1.971307 -1.464800 -1.421615
C -4.326802 0.889934 0.276325
C -3.232145 1.842874 2.218026
C -4.367644 1.720943 1.366677
H 0.165626 0.085154 2.224827
H 0.029955 -1.999403 -0.828072
H 3.509294 2.386221 -2.239679
H -1.224294 1.224565 2.608121
H -3.980156 -0.810186 -1.794846
H 3.087579 1.710707 1.506124
H 3.387371 3.044925 0.350031
H 1.705485 2.542603 0.716848
H -1.930600 -2.140475 -2.277159
H -5.189380 0.785640 -0.380288
H -3.290403 2.504612 3.079685
H -5.262753 2.295962 1.600077
H 2.289628 -2.715722 -1.394657
H 2.742911 -2.308837 -3.010670


%chk=000279494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279494

0 1
S 1.983041 -1.128687 0.992915
O 2.793882 -0.690711 2.340622
O 2.033559 -2.691014 0.485958
N 0.299164 -0.546240 1.431007
N 2.524436 1.231980 -0.495569
N 3.069421 0.434533 -2.562245
N 2.787803 -1.948281 -2.201910
C 2.386411 -0.177910 -0.464957
C -0.831158 -0.647003 0.569336
C -1.925431 0.273566 0.808107
C -3.094569 0.193026 -0.043827
C 2.743301 -0.658478 -1.750762
C -0.890078 -1.558084 -0.495563
C -1.896973 1.252310 1.855351
C 2.926548 1.530733 -1.776781
C -3.117590 -0.742212 -1.130837
C 2.268198 2.164836 0.612290
C -2.029292 -1.585194 -1.355248
C -4.198439 1.072439 0.212849
C -2.987702 2.098523 2.075983
C -4.153491 2.002207 1.253877
H 0.187320 -0.605934 2.451454
H -0.077416 -2.275110 -0.646537
H 3.107239 2.551133 -2.107598
H -1.000939 1.347651 2.478293
H -4.000949 -0.785565 -1.777870
H 2.807373 1.830978 1.515193
H 2.625169 3.164508 0.318846
H 1.189013 2.212436 0.838081
H -2.047364 -2.301114 -2.183856
H -5.083921 1.002748 -0.430199
H -2.950163 2.843767 2.878066
H -5.004855 2.666188 1.438495
H 2.615387 -2.704322 -1.535250
H 3.100068 -2.123606 -3.153012


