%chk=000243429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243429

0 1
S 2.537383 -0.902998 -0.759517
O 1.851795 -0.010717 -1.682394
O 2.905823 -2.236600 -1.179034
O -0.584540 -1.840844 -0.234654
O 0.957782 2.083944 0.804834
N -2.075509 0.420774 0.257617
N -2.908640 -0.002984 1.085092
C 1.465535 -1.037885 0.663800
C 3.937076 -0.117985 -0.121489
C 0.011056 -0.942299 0.292697
C -0.663358 0.376676 0.717053
C 5.119136 -0.850420 0.041375
C 3.908432 1.243592 0.196995
C 0.088113 1.592087 0.114534
C 6.266007 -0.227905 0.539735
C 5.055585 1.868411 0.695919
C 6.232687 1.132763 0.867525
C -0.241501 2.032792 -1.256607
C -4.301700 -0.017932 0.700751
C -4.743168 -0.333125 -0.595921
C -5.222789 0.219035 1.738389
C -6.114555 -0.408666 -0.850026
C -6.589057 0.148537 1.463155
C -7.035645 -0.165485 0.173906
H 1.738858 -0.293646 1.442387
H 1.630438 -2.021907 1.162343
H -0.570050 0.444966 1.841806
H 5.148130 -1.913280 -0.229504
H 2.990258 1.833357 0.060683
H 7.184812 -0.798564 0.667036
H 5.029392 2.928524 0.946895
H 7.128230 1.620732 1.255133
H -1.309002 1.947673 -1.511240
H 0.085772 3.062205 -1.455103
H 0.298760 1.382162 -1.990290
H -4.019095 -0.524736 -1.390028
H -4.867879 0.453248 2.742118
H -6.465180 -0.657675 -1.851353
H -7.310807 0.334963 2.257744
H -8.103887 -0.223186 -0.030959


%chk=000243429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243429

0 1
S 2.512841 -0.938794 -0.630985
O 1.706579 0.026536 -1.673874
O 2.884034 -2.475752 -1.026865
O -0.666654 -1.999102 0.366745
O 1.041047 2.002201 0.801620
N -2.133178 0.291819 0.238216
N -3.045660 0.208800 1.157759
C 1.425408 -0.997220 1.051216
C 4.130294 -0.093850 -0.091294
C -0.044213 -0.962254 0.690605
C -0.780041 0.411400 0.825279
C 5.266911 -0.915101 -0.018858
C 4.130477 1.289724 0.154536
C 0.014618 1.587030 0.194395
C 6.490782 -0.301433 0.336535
C 5.366649 1.878580 0.511927
C 6.537077 1.087685 0.602211
C -0.475865 2.172325 -1.102768
C -4.389821 0.046566 0.667402
C -4.725989 -0.208587 -0.691218
C -5.403092 0.130348 1.655652
C -6.078402 -0.362292 -1.047954
C -6.756966 -0.019209 1.287710
C -7.095985 -0.264748 -0.063598
H 1.772381 -0.125008 1.622208
H 1.724078 -1.969447 1.468633
H -0.827356 0.601217 1.923919
H 5.191868 -1.983184 -0.249048
H 3.215022 1.885592 0.076613
H 7.401127 -0.906359 0.400333
H 5.410225 2.953231 0.716606
H 7.488844 1.556136 0.875361
H -1.566400 2.339789 -1.079549
H 0.069059 3.102266 -1.325461
H -0.280621 1.434502 -1.904076
H -3.922498 -0.292736 -1.429502
H -5.105763 0.312561 2.693613
H -6.347882 -0.566025 -2.090087
H -7.542093 0.049074 2.047994
H -8.146145 -0.388677 -0.350551


