%chk=000281374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281374

0 1
S 4.533594 1.571661 -0.506607
S 7.827184 -1.337967 0.112606
O 4.778506 2.006381 -1.851782
O 4.692869 2.437441 0.625877
O -5.372063 1.038532 -2.032124
O -3.613918 -1.495099 1.746397
O -3.207924 -4.684007 -0.285360
N -4.259198 -0.566185 -0.264848
N 5.488095 0.117643 -0.220791
N -1.179144 -1.998665 -0.296513
N -0.924989 -0.782655 -0.267676
N 7.625846 1.228762 -0.342898
C 2.974199 0.818281 -0.431343
C -2.604431 -2.387470 -0.262691
C 2.292218 0.747925 0.789342
C 2.383028 0.325036 -1.599453
C 0.447531 -0.337727 -0.321963
C 1.027727 0.164205 0.857043
C 1.119641 -0.265453 -1.554430
C -5.186849 0.412744 0.221776
C -3.529923 -1.441310 0.533268
C -2.663286 -3.824237 0.357120
C -5.795805 1.280589 -0.737578
C -5.533877 0.555323 1.567251
C 6.866803 0.152556 -0.180270
C -6.716700 2.249927 -0.351691
C -6.462464 1.533133 1.953038
C -2.053334 -3.994939 1.698406
C -7.047177 2.370348 1.006895
C 9.294237 -0.400907 -0.001777
C 8.996049 0.907095 -0.240494
C -5.906540 1.878944 -3.083389
H -2.953807 -2.494543 -1.331830
H 2.747514 1.161545 1.699126
H 2.909484 0.405276 -2.559752
H 0.488606 0.112204 1.804234
H 0.659119 -0.656162 -2.461234
H -4.088297 -0.531022 -1.277188
H 5.049103 -0.797936 -0.074208
H -5.080158 -0.094910 2.325369
H -7.180504 2.909745 -1.078667
H -6.721896 1.630699 3.006501
H -2.463294 -3.257434 2.420272
H -2.239134 -4.999429 2.107230
H -0.963914 -3.839037 1.677385
H -7.767578 3.127529 1.314927
H 10.259213 -0.859661 0.111027
H 9.699840 1.728635 -0.360336
H -6.990855 1.751169 -3.154932
H -5.626410 2.922851 -2.913162
H -5.402238 1.474476 -3.970703


%chk=000281374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281374

0 1
S 4.911035 2.140598 0.158366
S 8.602235 -0.036327 0.935509
O 5.615774 2.151348 -1.305700
O 4.780284 3.491913 1.061291
O -5.795669 0.909305 -1.995601
O -3.037585 -1.349590 1.410852
O -3.074633 -4.077542 -1.411159
N -4.171531 -0.392598 -0.410441
N 5.868873 0.756907 1.340168
N -0.813396 -1.412392 -0.789193
N -0.671075 -0.250978 -0.234067
N 6.370748 -0.939488 -0.277460
C 3.206832 1.343068 0.039532
C -2.242965 -1.856072 -0.864565
C 2.131770 2.046867 0.602744
C 3.096835 0.101254 -0.615880
C 0.691464 0.224660 -0.177325
C 0.849948 1.469687 0.480587
C 1.812499 -0.462471 -0.722931
C -5.190191 0.354016 0.239250
C -3.184560 -1.168170 0.165714
C -2.314466 -3.401948 -0.674591
C -6.080859 1.065966 -0.623494
C -5.369741 0.433039 1.639520
C 6.737045 -0.062924 0.663300
C -7.131451 1.839862 -0.095591
C -6.426865 1.211354 2.165997
C -1.478054 -3.972753 0.443618
C -7.302459 1.909932 1.308592
C 8.702586 -1.338964 -0.278945
C 7.448315 -1.633944 -0.805059
C -6.667385 1.585567 -2.958262
H -2.573079 -1.662129 -1.903837
H 2.294236 3.003217 1.108961
H 3.987527 -0.410631 -0.996804
H -0.037889 1.960215 0.890768
H 1.659114 -1.426288 -1.216966
H -4.202485 -0.319007 -1.432894
H 6.280651 1.339963 2.089920
H -4.684526 -0.112672 2.290436
H -7.812697 2.384315 -0.756000
H -6.561015 1.266948 3.251080
H -1.714148 -3.426795 1.377570
H -1.667024 -5.049964 0.561721
H -0.407034 -3.793859 0.230933
H -8.119527 2.510538 1.721900
H 9.654467 -1.816231 -0.501843
H 7.266513 -2.384557 -1.574922
H -7.711193 1.231059 -2.863343
H -6.629297 2.683224 -2.823649
H -6.271250 1.317372 -3.948408


