%chk=000193894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193894

1 1
P -1.571644 -0.136524 0.346690
O -2.278381 0.610442 1.665184
O -0.600281 0.990113 -0.270681
O -0.616520 -1.199394 1.118878
O -2.620371 -0.615936 -0.578275
N -5.124016 1.684641 -0.387380
C -4.554418 1.036898 0.873300
C -4.130452 1.669350 -1.523202
C -6.347492 0.892897 -0.807992
C -5.536411 3.109981 -0.093441
C -3.229722 1.639600 1.385446
C 4.176633 -0.383972 -0.173406
C 3.143913 0.676817 0.231809
C 5.606595 0.090434 0.119110
C 1.715469 0.198664 -0.064405
C 6.639809 -0.969275 -0.286168
C 0.702920 1.252953 0.361334
C 8.071510 -0.497298 0.005415
C 9.103363 -1.548059 -0.396279
H -4.402637 -0.063571 0.669703
H -5.321111 1.075478 1.681726
H -4.579794 2.009372 -2.471968
H -3.732187 0.631303 -1.702180
H -3.250665 2.306470 -1.327286
H -7.109053 0.847633 -0.008774
H -6.077596 -0.151293 -1.072058
H -6.832466 1.331315 -1.700602
H -5.979794 3.598629 -0.983054
H -4.677346 3.732697 0.216207
H -6.290571 3.163246 0.713969
H -3.367893 2.092234 2.396164
H -2.799427 2.407404 0.712703
H 4.074910 -0.622009 -1.250390
H 3.980112 -1.331849 0.364762
H 3.253330 0.908780 1.309729
H 3.351663 1.621682 -0.308524
H 5.715804 0.326401 1.195506
H 5.810611 1.036263 -0.419478
H 1.606262 -0.018065 -1.147953
H 1.530193 -0.766642 0.455816
H 6.538108 -1.207688 -1.362545
H 6.443386 -1.917238 0.250896
H 0.924430 2.252007 -0.070285
H 0.584174 1.332983 1.456198
H 8.179856 -0.261443 1.082356
H 8.274587 0.449147 -0.533295
H 9.053813 -1.778159 -1.466749
H 8.959275 -2.488396 0.148013
H 10.122477 -1.202947 -0.184861
H -1.013955 -2.067477 1.420217


%chk=000193894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193894

1 1
P -1.697756 -0.203814 0.692734
O -2.560086 0.697401 1.934737
O -0.629102 0.894367 -0.014487
O -0.701548 -1.167856 1.669791
O -2.708192 -0.881472 -0.332968
N -5.235912 1.722101 -0.493311
C -4.779493 1.104587 0.853871
C -4.136816 1.647666 -1.561884
C -6.431530 0.901069 -0.985090
C -5.668852 3.171263 -0.290171
C -3.507640 1.737162 1.484669
C 4.294719 -0.348420 -0.264756
C 3.229979 0.594724 0.341520
C 5.734254 0.009488 0.168282
C 1.792493 0.223891 -0.107302
C 6.799962 -0.935661 -0.431295
C 0.771011 1.166959 0.521537
C 8.241671 -0.578592 -0.002368
C 9.299631 -1.527127 -0.605883
H -4.586610 0.038999 0.646802
H -5.645793 1.194181 1.530499
H -4.582265 1.924444 -2.529712
H -3.731567 0.622884 -1.585420
H -3.329259 2.353527 -1.318568
H -7.209466 0.889011 -0.206323
H -6.092142 -0.124291 -1.195557
H -6.829133 1.359528 -1.903429
H -5.985932 3.590753 -1.257187
H -4.822580 3.754873 0.101501
H -6.507401 3.202492 0.422743
H -3.750569 2.277757 2.411768
H -2.995063 2.441523 0.800723
H 4.226578 -0.317075 -1.371817
H 4.071170 -1.393601 0.033222
H 3.299263 0.555731 1.448263
H 3.458254 1.639446 0.045653
H 5.803668 -0.017785 1.275873
H 5.961158 1.053616 -0.132740
H 1.719160 0.285044 -1.209350
H 1.569917 -0.817967 0.189864
H 6.733039 -0.911476 -1.539141
H 6.577912 -1.980554 -0.129083
H 0.930102 2.216180 0.221527
H 0.753376 1.087772 1.623692
H 8.309744 -0.603377 1.104441
H 8.464019 0.465252 -0.304320
H 9.277334 -1.495461 -1.711542
H 9.117149 -2.573666 -0.296891
H 10.319994 -1.253291 -0.281660
H -1.111848 -1.943611 2.128441


