%chk=000268592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268592

0 1
P 4.650793 -0.218772 -0.967414
P -4.652315 -0.181072 0.967030
O 5.616652 -0.088271 -2.106141
O -5.617104 -0.043275 2.105805
N 4.810813 1.102961 0.214611
N 4.844556 -1.697632 -0.028004
N -4.801633 1.142411 -0.214436
N -4.857999 -1.657897 0.026968
C 5.976310 2.027358 0.063843
C 4.571387 2.509682 -0.229000
C 5.334112 -1.682146 1.384027
C 6.221578 -2.195489 0.270251
C -5.959635 2.076119 -0.063315
C -4.550872 2.546965 0.229764
C -6.238970 -2.144756 -0.271177
C -5.347748 -1.637918 -1.384934
C 2.840286 -0.241826 -1.434899
C -2.842058 -0.218926 1.434519
C 1.940908 -0.238182 -0.203448
C -1.942682 -0.222239 0.203069
C 0.458634 -0.232398 -0.614351
C -0.460412 -0.229134 0.613968
H 6.701046 1.907104 -0.753387
H 6.471923 2.305787 0.999504
H 4.040523 3.133970 0.499011
H 4.273359 2.760201 -1.250855
H 4.821123 -2.388449 2.047614
H 5.568150 -0.751850 1.911402
H 7.118360 -1.650375 -0.040099
H 6.356785 -3.274355 0.124578
H -6.685349 1.961387 0.753836
H -6.452949 2.358928 -0.998881
H -4.014958 3.167251 -0.497966
H -4.250863 2.794645 1.251733
H -6.382644 -3.222587 -0.125953
H -7.131355 -1.592725 0.039624
H -5.574574 -0.705562 -1.911823
H -4.840492 -2.347930 -2.048968
H 2.652004 -1.148307 -2.051749
H 2.622252 0.617946 -2.098663
H -2.617061 0.638886 2.098492
H -2.661135 -1.127064 2.051136
H 2.138011 -1.131217 0.429310
H 2.143149 0.642499 0.442100
H -2.147273 -1.113258 -0.430153
H -2.137536 0.660447 -0.442015
H 0.245906 0.648848 -1.248954
H 0.241312 -1.116617 -1.244907
H -0.240364 0.649734 1.249373
H -0.250451 -1.115700 1.243723


%chk=000268592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268592

0 1
P 4.792160 0.043282 -0.577111
P -4.791449 0.083864 0.576830
O 5.930867 0.189607 -1.716173
O -5.929170 0.236869 1.715999
N 4.881629 1.253436 0.752275
N 4.843914 -1.492219 0.361167
N -4.870734 1.297913 -0.749662
N -4.855721 -1.448963 -0.365105
C 6.267279 1.708771 1.175474
C 5.388278 2.636141 0.362188
C 6.215051 -2.077430 0.651224
C 5.333157 -2.717319 -0.400976
C -6.252797 1.761649 -1.175571
C -5.371385 2.682143 -0.357129
C -5.351133 -2.672665 0.395296
C -6.231618 -2.024177 -0.652803
C 3.015264 0.141088 -1.153968
C -3.013891 0.166010 1.154130
C 1.975540 0.050187 -0.017885
C -1.974788 0.067541 0.018111
C 0.529362 0.088480 -0.563465
C -0.528383 0.093325 0.563843
H 7.132501 1.277123 0.656335
H 6.375482 1.854391 2.254169
H 4.855608 3.458014 0.849642
H 5.683657 2.799059 -0.682535
H 6.304172 -2.525607 1.645014
H 7.095100 -1.533539 0.285161
H 5.641256 -2.580786 -1.445837
H 4.779512 -3.632890 -0.173211
H -7.121847 1.333117 -0.660244
H -6.357112 1.910838 -2.254161
H -4.833014 3.502585 -0.840702
H -5.668813 2.843469 0.687261
H -4.804308 -3.591364 0.163676
H -5.655464 -2.536837 1.441348
H -7.106848 -1.475156 -0.282831
H -6.326538 -2.469257 -1.647446
H 2.889207 -0.680624 -1.884359
H 2.925033 1.094072 -1.708520
H -2.915720 1.117642 1.709642
H -2.894862 -0.657483 1.883698
H 2.138741 -0.881408 0.556310
H 2.135401 0.884330 0.691405
H -2.145604 -0.862102 -0.557046
H -2.127583 0.903651 -0.690413
H 0.390752 0.991122 -1.194524
H 0.357145 -0.785590 -1.225421
H -0.381873 0.994915 1.194586
H -0.363916 -0.782019 1.226110


