%chk=000218488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218488

0 1
O -0.522111 -0.241670 0.027142
O -3.140926 -2.626634 0.421881
O 1.392490 1.832237 0.007852
O 4.105192 1.095981 0.408307
N -3.297461 -0.727333 -0.814731
N -4.744191 1.698295 -0.156816
C -4.782581 -0.738510 -0.669581
C -2.798796 0.605220 -1.238228
C -5.246118 0.361423 0.307752
C -3.245266 1.697632 -0.245398
C -2.567756 -1.649864 -0.056687
C -1.096519 -1.545108 0.053232
C -5.206544 2.773211 0.771041
C -0.144860 -2.520153 0.238153
C 1.136419 -1.836603 0.322160
C 0.843829 -0.451276 0.191006
C 1.831769 0.550043 0.219327
C -0.360037 -3.973779 0.334949
C 2.463149 -2.246112 0.498564
C 3.159384 0.094784 0.392426
C 3.461630 -1.280668 0.535723
C 2.256741 2.917967 0.492659
C 5.491560 0.735975 0.720240
C 1.362869 4.136350 0.377771
C 6.199686 2.076217 0.705735
H -5.118570 -1.739961 -0.311655
H -5.223711 -0.574950 -1.678197
H -3.221435 0.813634 -2.249884
H -1.690638 0.609268 -1.350897
H -6.356955 0.397452 0.314043
H -4.923116 0.107751 1.340522
H -2.743329 1.546100 0.734572
H -2.922042 2.690901 -0.624509
H -4.853966 2.676944 1.808472
H -6.308436 2.789672 0.779172
H -4.875083 3.749050 0.380854
H 0.150286 -4.404651 1.208216
H -1.437968 -4.214339 0.438061
H 0.008239 -4.498058 -0.559261
H 2.700404 -3.303064 0.603145
H 4.494014 -1.593690 0.665720
H 2.566054 2.696875 1.526723
H 3.139993 2.957815 -0.171573
H 5.513992 0.248152 1.709418
H 5.855661 0.051675 -0.065360
H 1.903697 5.053182 0.635657
H 0.974510 4.245728 -0.644909
H 0.488990 4.055513 1.037934
H 7.275502 1.959156 0.882606
H 6.069993 2.584818 -0.260399
H 5.801163 2.751201 1.475049


%chk=000218488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218488

0 1
O -0.428017 -0.242189 0.188696
O -3.027121 -2.758302 0.625744
O 1.540363 1.884066 0.152210
O 4.265785 1.104405 0.366925
N -3.302245 -0.658800 -0.346397
N -4.952959 1.699663 -0.407406
C -4.772356 -0.774072 -0.220325
C -2.888125 0.525275 -1.133729
C -5.345361 0.516194 0.396008
C -3.477043 1.806004 -0.511145
C -2.507615 -1.682637 0.157269
C -1.028086 -1.553192 0.169343
C -5.575347 2.944157 0.081582
C -0.052516 -2.542789 0.245643
C 1.231366 -1.854811 0.296361
C 0.954994 -0.459711 0.262291
C 1.934797 0.548563 0.290879
C -0.240445 -4.034241 0.264715
C 2.578696 -2.278650 0.377722
C 3.287509 0.093554 0.364679
C 3.591655 -1.300711 0.415483
C 1.986069 2.847469 1.203108
C 5.685334 0.696022 0.343475
C 1.304274 4.173447 0.879585
C 6.511880 1.978542 0.301806
H -4.994364 -1.654339 0.403307
H -5.214018 -0.927594 -1.225291
H -3.290231 0.414045 -2.161493
H -1.794820 0.599298 -1.176548
H -6.449488 0.449978 0.412112
H -4.990902 0.598469 1.455985
H -2.997668 1.974883 0.486921
H -3.229065 2.668277 -1.157997
H -5.265811 3.217252 1.122583
H -6.675341 2.839561 0.069292
H -5.304553 3.782281 -0.585588
H 0.158263 -4.462797 1.204203
H -1.307286 -4.293103 0.202087
H 0.307715 -4.509475 -0.571117
H 2.836161 -3.341612 0.413070
H 4.635068 -1.622616 0.475344
H 1.672428 2.457921 2.192458
H 3.086731 2.925732 1.174891
H 5.914226 0.100642 1.251052
H 5.870151 0.067570 -0.551276
H 1.590755 4.939463 1.623625
H 1.606114 4.528388 -0.120851
H 0.206269 4.062047 0.892810
H 7.588984 1.732513 0.275206
H 6.265818 2.571469 -0.595368
H 6.318176 2.598288 1.194062


